USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.19) USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0 X(o=-0.46,f=-0.19) USER MOD Set 2.1: A 97 GLN : amide:sc= -3.36! C(o=-1.6!,f=-6.1!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ 159:sc= 1.74 (180deg=1.04) USER MOD Set 3.1: A 75 SER OG : rot 84:sc= 1.39 USER MOD Set 3.2: A 80 ASN : amide:sc= 0.109 X(o=1.5,f=1.2) USER MOD Set 4.1: A 32 TYR OH : rot -7:sc= 0.778 USER MOD Set 4.2: A 45 GLN : amide:sc= 0.107 K(o=0.89,f=-1.9) USER MOD Set 5.1: A 38 ASN : amide:sc= -2.05! K(o=-1.1!,f=-0.4) USER MOD Set 5.2: A 40 TYR OH : rot 57:sc= 0.978 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.32 (180deg=-0.334) USER MOD Single : A 3 THR OG1 : rot 76:sc= 0.257 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc=-0.00366 (180deg=-0.137) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0153) USER MOD Single : A 11 THR OG1 : rot 170:sc= -0.559 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 15 MET CE :methyl -179:sc= -1.88 (180deg=-1.94) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.562 USER MOD Single : A 25 GLN : amide:sc= 0.131 X(o=0.13,f=0.15) USER MOD Single : A 26 THR OG1 : rot 44:sc= 0.0286 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc=-0.00557 (180deg=-0.153) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00644 X(o=-0.0064,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.16 K(o=1.2,f=-1.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.251 K(o=-0.25,f=-2.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 89:sc= 1.15 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 2.11 (180deg=1.1) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.676 K(o=-0.68,f=-10!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.117 K(o=-0.12,f=-5.7!) USER MOD Single : A 72 SER OG : rot 81:sc= 0.0776 USER MOD Single : A 76 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.042) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.993 K(o=0.99,f=-0.27) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.029) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HE2:sc= -0.522 K(o=-0.52,f=-2.8) USER MOD Single : A 108 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.25) USER MOD Single : A 109 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.26) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.655 -0.243 -1.338 1.00 0.00 N ATOM 2 CA MET A 1 -6.873 -0.167 0.129 1.00 0.00 C ATOM 3 C MET A 1 -7.937 -1.176 0.555 1.00 0.00 C ATOM 4 O MET A 1 -8.438 -1.936 -0.276 1.00 0.00 O ATOM 5 CB MET A 1 -7.312 1.250 0.513 1.00 0.00 C ATOM 6 CG MET A 1 -6.495 1.871 1.638 1.00 0.00 C ATOM 7 SD MET A 1 -6.583 0.929 3.175 1.00 0.00 S ATOM 8 CE MET A 1 -5.590 1.957 4.256 1.00 0.00 C ATOM 0 H1 MET A 1 -6.118 0.590 -1.653 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.121 -1.106 -1.565 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.574 -0.267 -1.825 1.00 0.00 H new ATOM 0 HA MET A 1 -5.940 -0.404 0.640 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.245 1.890 -0.366 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.360 1.226 0.810 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.454 1.948 1.324 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.849 2.886 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.548 1.507 5.248 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.581 2.041 3.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.036 2.949 4.326 1.00 0.00 H new ATOM 20 N PHE A 2 -8.261 -1.200 1.848 1.00 0.00 N ATOM 21 CA PHE A 2 -9.364 -2.003 2.349 1.00 0.00 C ATOM 22 C PHE A 2 -10.594 -1.122 2.448 1.00 0.00 C ATOM 23 O PHE A 2 -10.676 -0.242 3.309 1.00 0.00 O ATOM 24 CB PHE A 2 -9.036 -2.610 3.717 1.00 0.00 C ATOM 25 CG PHE A 2 -7.898 -3.589 3.686 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.038 -4.814 3.053 1.00 0.00 C ATOM 27 CD2 PHE A 2 -6.691 -3.286 4.293 1.00 0.00 C ATOM 28 CE1 PHE A 2 -6.995 -5.719 3.027 1.00 0.00 C ATOM 29 CE2 PHE A 2 -5.643 -4.187 4.271 1.00 0.00 C ATOM 30 CZ PHE A 2 -5.794 -5.405 3.636 1.00 0.00 C ATOM 0 H PHE A 2 -7.769 -0.668 2.566 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.545 -2.829 1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.793 -1.806 4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -9.923 -3.110 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.973 -5.064 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -6.567 -2.335 4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.117 -6.671 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -4.707 -3.939 4.750 1.00 0.00 H new ATOM 0 HZ PHE A 2 -4.976 -6.110 3.615 1.00 0.00 H new ATOM 40 N THR A 3 -11.538 -1.344 1.557 1.00 0.00 N ATOM 41 CA THR A 3 -12.656 -0.432 1.417 1.00 0.00 C ATOM 42 C THR A 3 -13.971 -1.112 1.765 1.00 0.00 C ATOM 43 O THR A 3 -14.223 -2.242 1.355 1.00 0.00 O ATOM 44 CB THR A 3 -12.725 0.106 -0.024 1.00 0.00 C ATOM 45 OG1 THR A 3 -11.410 0.101 -0.604 1.00 0.00 O ATOM 46 CG2 THR A 3 -13.276 1.521 -0.047 1.00 0.00 C ATOM 0 H THR A 3 -11.555 -2.142 0.922 1.00 0.00 H new ATOM 0 HA THR A 3 -12.499 0.394 2.111 1.00 0.00 H new ATOM 0 HB THR A 3 -13.389 -0.538 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.161 -0.816 -0.843 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.315 1.880 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.280 1.528 0.378 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.629 2.173 0.540 1.00 0.00 H new ATOM 54 N ALA A 4 -14.793 -0.428 2.538 1.00 0.00 N ATOM 55 CA ALA A 4 -16.125 -0.912 2.851 1.00 0.00 C ATOM 56 C ALA A 4 -17.156 0.118 2.422 1.00 0.00 C ATOM 57 O ALA A 4 -17.142 1.257 2.890 1.00 0.00 O ATOM 58 CB ALA A 4 -16.252 -1.215 4.335 1.00 0.00 C ATOM 0 H ALA A 4 -14.560 0.470 2.963 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.302 -1.839 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.258 -1.576 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.526 -1.978 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.063 -0.308 4.909 1.00 0.00 H new ATOM 64 N LYS A 5 -18.027 -0.265 1.510 1.00 0.00 N ATOM 65 CA LYS A 5 -19.047 0.640 1.018 1.00 0.00 C ATOM 66 C LYS A 5 -20.432 0.089 1.319 1.00 0.00 C ATOM 67 O LYS A 5 -20.741 -1.059 0.990 1.00 0.00 O ATOM 68 CB LYS A 5 -18.865 0.870 -0.487 1.00 0.00 C ATOM 69 CG LYS A 5 -19.921 1.769 -1.112 1.00 0.00 C ATOM 70 CD LYS A 5 -19.586 2.113 -2.557 1.00 0.00 C ATOM 71 CE LYS A 5 -19.527 0.873 -3.432 1.00 0.00 C ATOM 72 NZ LYS A 5 -19.218 1.201 -4.847 1.00 0.00 N ATOM 0 H LYS A 5 -18.049 -1.196 1.095 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.946 1.599 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.882 1.308 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -18.878 -0.094 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.891 1.273 -1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.008 2.687 -0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.335 2.800 -2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.628 2.631 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.769 0.192 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -20.481 0.349 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.188 0.326 -5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.954 1.830 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.295 1.678 -4.899 1.00 0.00 H new ATOM 86 N LEU A 6 -21.252 0.902 1.968 1.00 0.00 N ATOM 87 CA LEU A 6 -22.618 0.516 2.284 1.00 0.00 C ATOM 88 C LEU A 6 -23.405 0.370 0.988 1.00 0.00 C ATOM 89 O LEU A 6 -23.433 1.281 0.162 1.00 0.00 O ATOM 90 CB LEU A 6 -23.256 1.562 3.220 1.00 0.00 C ATOM 91 CG LEU A 6 -24.635 1.218 3.816 1.00 0.00 C ATOM 92 CD1 LEU A 6 -25.744 1.434 2.801 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.662 -0.213 4.330 1.00 0.00 C ATOM 0 H LEU A 6 -20.994 1.836 2.287 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.628 -0.442 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.567 1.744 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.349 2.498 2.669 1.00 0.00 H new ATOM 0 HG LEU A 6 -24.807 1.892 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -26.704 1.183 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -25.752 2.478 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.573 0.797 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.646 -0.432 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.455 -0.899 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.905 -0.336 5.105 1.00 0.00 H new ATOM 105 N ILE A 7 -24.013 -0.789 0.803 1.00 0.00 N ATOM 106 CA ILE A 7 -24.761 -1.057 -0.413 1.00 0.00 C ATOM 107 C ILE A 7 -26.257 -1.161 -0.131 1.00 0.00 C ATOM 108 O ILE A 7 -27.081 -0.806 -0.971 1.00 0.00 O ATOM 109 CB ILE A 7 -24.262 -2.342 -1.110 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.362 -3.549 -0.175 1.00 0.00 C ATOM 111 CG2 ILE A 7 -22.836 -2.154 -1.588 1.00 0.00 C ATOM 112 CD1 ILE A 7 -23.905 -4.847 -0.805 1.00 0.00 C ATOM 0 H ILE A 7 -24.004 -1.556 1.475 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.593 -0.215 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 7 -24.900 -2.535 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.764 -3.358 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.396 -3.659 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.493 -3.065 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.795 -1.325 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.192 -1.936 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.005 -5.657 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.519 -5.063 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -22.862 -4.757 -1.107 1.00 0.00 H new ATOM 124 N LYS A 8 -26.605 -1.626 1.062 1.00 0.00 N ATOM 125 CA LYS A 8 -28.002 -1.798 1.431 1.00 0.00 C ATOM 126 C LYS A 8 -28.298 -1.109 2.755 1.00 0.00 C ATOM 127 O LYS A 8 -27.801 -1.519 3.803 1.00 0.00 O ATOM 128 CB LYS A 8 -28.352 -3.287 1.511 1.00 0.00 C ATOM 129 CG LYS A 8 -28.262 -4.000 0.172 1.00 0.00 C ATOM 130 CD LYS A 8 -28.559 -5.483 0.303 1.00 0.00 C ATOM 131 CE LYS A 8 -28.510 -6.186 -1.049 1.00 0.00 C ATOM 132 NZ LYS A 8 -27.161 -6.112 -1.671 1.00 0.00 N ATOM 0 H LYS A 8 -25.940 -1.890 1.789 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.620 -1.336 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.681 -3.773 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.363 -3.395 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.965 -3.549 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.264 -3.864 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.837 -5.941 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.544 -5.620 0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.794 -7.231 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -29.242 -5.735 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -27.126 -6.740 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -26.970 -5.134 -1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -26.443 -6.410 -0.980 1.00 0.00 H new ATOM 146 N GLY A 9 -29.086 -0.044 2.694 1.00 0.00 N ATOM 147 CA GLY A 9 -29.458 0.675 3.895 1.00 0.00 C ATOM 148 C GLY A 9 -29.428 2.180 3.708 1.00 0.00 C ATOM 149 O GLY A 9 -29.929 2.919 4.554 1.00 0.00 O ATOM 0 H GLY A 9 -29.475 0.335 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.459 0.371 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -28.780 0.400 4.703 1.00 0.00 H new ATOM 153 N LYS A 10 -28.817 2.625 2.604 1.00 0.00 N ATOM 154 CA LYS A 10 -28.694 4.050 2.263 1.00 0.00 C ATOM 155 C LYS A 10 -27.705 4.772 3.177 1.00 0.00 C ATOM 156 O LYS A 10 -26.802 5.455 2.701 1.00 0.00 O ATOM 157 CB LYS A 10 -30.055 4.760 2.270 1.00 0.00 C ATOM 158 CG LYS A 10 -30.923 4.408 1.072 1.00 0.00 C ATOM 159 CD LYS A 10 -32.210 5.218 1.050 1.00 0.00 C ATOM 160 CE LYS A 10 -32.967 5.024 -0.256 1.00 0.00 C ATOM 161 NZ LYS A 10 -33.415 3.619 -0.446 1.00 0.00 N ATOM 0 H LYS A 10 -28.391 2.004 1.917 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.301 4.092 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.588 4.500 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -29.895 5.838 2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -30.365 4.588 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -31.163 3.345 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -32.843 4.921 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -31.979 6.275 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -33.834 5.685 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.329 5.315 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -33.969 3.547 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -32.585 2.995 -0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -34.005 3.331 0.361 1.00 0.00 H new ATOM 175 N THR A 11 -27.872 4.619 4.477 1.00 0.00 N ATOM 176 CA THR A 11 -26.971 5.223 5.448 1.00 0.00 C ATOM 177 C THR A 11 -26.904 4.369 6.714 1.00 0.00 C ATOM 178 O THR A 11 -27.934 3.987 7.271 1.00 0.00 O ATOM 179 CB THR A 11 -27.409 6.658 5.815 1.00 0.00 C ATOM 180 OG1 THR A 11 -27.525 7.456 4.630 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.407 7.305 6.758 1.00 0.00 C ATOM 0 H THR A 11 -28.630 4.077 4.891 1.00 0.00 H new ATOM 0 HA THR A 11 -25.984 5.274 4.989 1.00 0.00 H new ATOM 0 HB THR A 11 -28.376 6.598 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.955 8.309 4.851 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.737 8.315 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 11 -26.335 6.716 7.672 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.430 7.349 6.277 1.00 0.00 H new ATOM 189 N TYR A 12 -25.687 4.060 7.147 1.00 0.00 N ATOM 190 CA TYR A 12 -25.468 3.255 8.342 1.00 0.00 C ATOM 191 C TYR A 12 -24.078 3.545 8.897 1.00 0.00 C ATOM 192 O TYR A 12 -23.098 3.517 8.159 1.00 0.00 O ATOM 193 CB TYR A 12 -25.606 1.764 8.007 1.00 0.00 C ATOM 194 CG TYR A 12 -25.535 0.847 9.208 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.657 0.614 9.991 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.351 0.203 9.550 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.601 -0.228 11.084 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.289 -0.643 10.641 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.417 -0.854 11.404 1.00 0.00 C ATOM 200 OH TYR A 12 -25.362 -1.696 12.492 1.00 0.00 O ATOM 0 H TYR A 12 -24.829 4.359 6.683 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.216 3.510 9.093 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -26.557 1.604 7.498 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.819 1.487 7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.589 1.099 9.741 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.466 0.367 8.953 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -27.482 -0.395 11.685 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.362 -1.136 10.894 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.456 -2.058 12.580 1.00 0.00 H new ATOM 210 N ASN A 13 -23.988 3.835 10.186 1.00 0.00 N ATOM 211 CA ASN A 13 -22.702 4.171 10.789 1.00 0.00 C ATOM 212 C ASN A 13 -22.247 3.077 11.742 1.00 0.00 C ATOM 213 O ASN A 13 -23.068 2.425 12.391 1.00 0.00 O ATOM 214 CB ASN A 13 -22.768 5.517 11.528 1.00 0.00 C ATOM 215 CG ASN A 13 -23.644 5.483 12.769 1.00 0.00 C ATOM 216 OD1 ASN A 13 -23.186 5.135 13.858 1.00 0.00 O ATOM 217 ND2 ASN A 13 -24.903 5.864 12.620 1.00 0.00 N ATOM 0 H ASN A 13 -24.779 3.845 10.830 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.975 4.257 9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.759 5.816 11.813 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.146 6.279 10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -25.531 5.876 13.424 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -25.245 6.145 11.701 1.00 0.00 H new ATOM 224 N VAL A 14 -20.939 2.871 11.807 1.00 0.00 N ATOM 225 CA VAL A 14 -20.358 1.884 12.706 1.00 0.00 C ATOM 226 C VAL A 14 -19.258 2.522 13.553 1.00 0.00 C ATOM 227 O VAL A 14 -18.134 2.716 13.086 1.00 0.00 O ATOM 228 CB VAL A 14 -19.773 0.672 11.942 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.260 -0.381 12.913 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.806 0.068 11.001 1.00 0.00 C ATOM 0 H VAL A 14 -20.256 3.378 11.244 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.163 1.524 13.347 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.935 1.028 11.343 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.853 -1.224 12.354 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.479 0.051 13.538 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.080 -0.725 13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.368 -0.782 10.477 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.670 -0.266 11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.120 0.819 10.276 1.00 0.00 H new ATOM 240 N MET A 15 -19.610 2.876 14.786 1.00 0.00 N ATOM 241 CA MET A 15 -18.667 3.434 15.757 1.00 0.00 C ATOM 242 C MET A 15 -17.998 4.702 15.235 1.00 0.00 C ATOM 243 O MET A 15 -16.775 4.837 15.284 1.00 0.00 O ATOM 244 CB MET A 15 -17.598 2.406 16.144 1.00 0.00 C ATOM 245 CG MET A 15 -18.156 1.180 16.853 1.00 0.00 C ATOM 246 SD MET A 15 -16.870 0.147 17.585 1.00 0.00 S ATOM 247 CE MET A 15 -15.868 -0.229 16.150 1.00 0.00 C ATOM 0 H MET A 15 -20.561 2.784 15.143 1.00 0.00 H new ATOM 0 HA MET A 15 -19.246 3.694 16.643 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.072 2.086 15.245 1.00 0.00 H new ATOM 0 HB3 MET A 15 -16.863 2.885 16.790 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.846 1.500 17.634 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.732 0.586 16.143 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.042 -0.877 16.443 1.00 0.00 H new ATOM 0 HE2 MET A 15 -16.479 -0.735 15.402 1.00 0.00 H new ATOM 0 HE3 MET A 15 -15.473 0.696 15.730 1.00 0.00 H new ATOM 257 N GLY A 16 -18.802 5.627 14.737 1.00 0.00 N ATOM 258 CA GLY A 16 -18.273 6.896 14.275 1.00 0.00 C ATOM 259 C GLY A 16 -18.080 6.934 12.775 1.00 0.00 C ATOM 260 O GLY A 16 -18.275 7.975 12.145 1.00 0.00 O ATOM 0 H GLY A 16 -19.812 5.524 14.643 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.950 7.697 14.571 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.319 7.088 14.765 1.00 0.00 H new ATOM 264 N ILE A 17 -17.692 5.805 12.200 1.00 0.00 N ATOM 265 CA ILE A 17 -17.494 5.719 10.762 1.00 0.00 C ATOM 266 C ILE A 17 -18.842 5.541 10.071 1.00 0.00 C ATOM 267 O ILE A 17 -19.474 4.491 10.180 1.00 0.00 O ATOM 268 CB ILE A 17 -16.551 4.554 10.352 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.154 4.698 10.979 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.424 4.487 8.838 1.00 0.00 C ATOM 271 CD1 ILE A 17 -15.070 4.285 12.432 1.00 0.00 C ATOM 0 H ILE A 17 -17.509 4.939 12.706 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.018 6.648 10.449 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.995 3.632 10.726 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.448 4.099 10.403 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.836 5.737 10.891 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.761 3.667 8.564 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.407 4.321 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.013 5.425 8.465 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.049 4.420 12.790 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.747 4.900 13.025 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.353 3.237 12.529 1.00 0.00 H new ATOM 283 N THR A 18 -19.289 6.578 9.387 1.00 0.00 N ATOM 284 CA THR A 18 -20.577 6.549 8.718 1.00 0.00 C ATOM 285 C THR A 18 -20.435 6.064 7.278 1.00 0.00 C ATOM 286 O THR A 18 -19.624 6.585 6.512 1.00 0.00 O ATOM 287 CB THR A 18 -21.234 7.942 8.735 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.269 8.436 10.079 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.651 7.891 8.178 1.00 0.00 C ATOM 0 H THR A 18 -18.777 7.454 9.280 1.00 0.00 H new ATOM 0 HA THR A 18 -21.214 5.851 9.261 1.00 0.00 H new ATOM 0 HB THR A 18 -20.642 8.607 8.106 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.685 9.323 10.091 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.088 8.889 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.625 7.532 7.149 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.256 7.215 8.783 1.00 0.00 H new ATOM 297 N PHE A 19 -21.215 5.052 6.928 1.00 0.00 N ATOM 298 CA PHE A 19 -21.227 4.514 5.579 1.00 0.00 C ATOM 299 C PHE A 19 -22.522 4.903 4.880 1.00 0.00 C ATOM 300 O PHE A 19 -23.574 5.003 5.517 1.00 0.00 O ATOM 301 CB PHE A 19 -21.110 2.990 5.610 1.00 0.00 C ATOM 302 CG PHE A 19 -19.909 2.474 6.346 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.709 2.292 5.686 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.986 2.152 7.693 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.605 1.802 6.352 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.883 1.665 8.366 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.691 1.488 7.694 1.00 0.00 C ATOM 0 H PHE A 19 -21.855 4.583 7.570 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.377 4.926 5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.008 2.578 6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.080 2.619 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.635 2.536 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.919 2.284 8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.673 1.664 5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.953 1.423 9.416 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.827 1.105 8.216 1.00 0.00 H new ATOM 317 N ARG A 20 -22.448 5.130 3.580 1.00 0.00 N ATOM 318 CA ARG A 20 -23.627 5.460 2.799 1.00 0.00 C ATOM 319 C ARG A 20 -23.672 4.652 1.516 1.00 0.00 C ATOM 320 O ARG A 20 -22.637 4.202 1.019 1.00 0.00 O ATOM 321 CB ARG A 20 -23.670 6.952 2.480 1.00 0.00 C ATOM 322 CG ARG A 20 -24.479 7.757 3.477 1.00 0.00 C ATOM 323 CD ARG A 20 -24.543 9.217 3.082 1.00 0.00 C ATOM 324 NE ARG A 20 -25.662 9.907 3.717 1.00 0.00 N ATOM 325 CZ ARG A 20 -25.670 11.208 3.991 1.00 0.00 C ATOM 326 NH1 ARG A 20 -24.576 11.937 3.794 1.00 0.00 N ATOM 327 NH2 ARG A 20 -26.764 11.773 4.488 1.00 0.00 N ATOM 0 H ARG A 20 -21.582 5.092 3.042 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.502 5.208 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.652 7.340 2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.091 7.091 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -25.488 7.351 3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -24.034 7.665 4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.610 9.709 3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -24.636 9.296 1.999 1.00 0.00 H new ATOM 0 HE ARG A 20 -26.486 9.359 3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.729 11.498 3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -24.583 12.935 4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -27.597 11.209 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -26.772 12.771 4.699 1.00 0.00 H new ATOM 341 N ALA A 21 -24.880 4.464 0.993 1.00 0.00 N ATOM 342 CA ALA A 21 -25.081 3.730 -0.247 1.00 0.00 C ATOM 343 C ALA A 21 -24.358 4.404 -1.406 1.00 0.00 C ATOM 344 O ALA A 21 -24.781 5.455 -1.894 1.00 0.00 O ATOM 345 CB ALA A 21 -26.565 3.600 -0.551 1.00 0.00 C ATOM 0 H ALA A 21 -25.740 4.814 1.415 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.660 2.732 -0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.699 3.049 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.057 3.066 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.004 4.593 -0.651 1.00 0.00 H new ATOM 351 N GLY A 22 -23.253 3.808 -1.820 1.00 0.00 N ATOM 352 CA GLY A 22 -22.493 4.341 -2.931 1.00 0.00 C ATOM 353 C GLY A 22 -21.303 5.166 -2.483 1.00 0.00 C ATOM 354 O GLY A 22 -20.685 5.859 -3.291 1.00 0.00 O ATOM 0 H GLY A 22 -22.866 2.960 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.145 3.518 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.145 4.957 -3.550 1.00 0.00 H new ATOM 358 N VAL A 23 -20.983 5.103 -1.196 1.00 0.00 N ATOM 359 CA VAL A 23 -19.840 5.832 -0.659 1.00 0.00 C ATOM 360 C VAL A 23 -18.794 4.865 -0.113 1.00 0.00 C ATOM 361 O VAL A 23 -19.006 4.217 0.916 1.00 0.00 O ATOM 362 CB VAL A 23 -20.264 6.816 0.455 1.00 0.00 C ATOM 363 CG1 VAL A 23 -19.064 7.585 0.982 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.330 7.776 -0.053 1.00 0.00 C ATOM 0 H VAL A 23 -21.498 4.556 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.410 6.406 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.686 6.236 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.387 8.271 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.335 6.886 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.609 8.151 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.614 8.460 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.936 8.345 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.205 7.211 -0.375 1.00 0.00 H new ATOM 374 N SER A 24 -17.681 4.751 -0.825 1.00 0.00 N ATOM 375 CA SER A 24 -16.590 3.875 -0.425 1.00 0.00 C ATOM 376 C SER A 24 -15.814 4.482 0.742 1.00 0.00 C ATOM 377 O SER A 24 -15.288 5.592 0.644 1.00 0.00 O ATOM 378 CB SER A 24 -15.660 3.642 -1.616 1.00 0.00 C ATOM 379 OG SER A 24 -16.392 3.222 -2.756 1.00 0.00 O ATOM 0 H SER A 24 -17.510 5.261 -1.692 1.00 0.00 H new ATOM 0 HA SER A 24 -17.003 2.921 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.119 4.560 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.916 2.888 -1.359 1.00 0.00 H new ATOM 0 HG SER A 24 -15.777 3.081 -3.506 1.00 0.00 H new ATOM 385 N GLN A 25 -15.742 3.749 1.844 1.00 0.00 N ATOM 386 CA GLN A 25 -15.082 4.239 3.046 1.00 0.00 C ATOM 387 C GLN A 25 -13.949 3.305 3.451 1.00 0.00 C ATOM 388 O GLN A 25 -14.137 2.090 3.529 1.00 0.00 O ATOM 389 CB GLN A 25 -16.100 4.364 4.187 1.00 0.00 C ATOM 390 CG GLN A 25 -17.238 5.330 3.886 1.00 0.00 C ATOM 391 CD GLN A 25 -16.820 6.783 4.007 1.00 0.00 C ATOM 392 OE1 GLN A 25 -16.298 7.375 3.065 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.081 7.380 5.157 1.00 0.00 N ATOM 0 H GLN A 25 -16.133 2.811 1.931 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.660 5.222 2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.517 3.380 4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.584 4.694 5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.608 5.146 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.064 5.136 4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.515 6.856 5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.848 8.365 5.285 1.00 0.00 H new ATOM 402 N THR A 26 -12.769 3.867 3.675 1.00 0.00 N ATOM 403 CA THR A 26 -11.637 3.091 4.153 1.00 0.00 C ATOM 404 C THR A 26 -11.812 2.752 5.627 1.00 0.00 C ATOM 405 O THR A 26 -12.101 3.627 6.444 1.00 0.00 O ATOM 406 CB THR A 26 -10.316 3.850 3.941 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.474 5.222 4.327 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.877 3.770 2.487 1.00 0.00 C ATOM 0 H THR A 26 -12.572 4.858 3.533 1.00 0.00 H new ATOM 0 HA THR A 26 -11.597 2.166 3.577 1.00 0.00 H new ATOM 0 HB THR A 26 -9.548 3.386 4.561 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.969 5.269 5.171 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.941 4.313 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.732 2.726 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.643 4.213 1.851 1.00 0.00 H new ATOM 416 N VAL A 27 -11.645 1.483 5.958 1.00 0.00 N ATOM 417 CA VAL A 27 -11.907 1.001 7.305 1.00 0.00 C ATOM 418 C VAL A 27 -10.662 0.379 7.927 1.00 0.00 C ATOM 419 O VAL A 27 -9.771 -0.096 7.219 1.00 0.00 O ATOM 420 CB VAL A 27 -13.040 -0.046 7.305 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.352 0.587 6.875 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.687 -1.220 6.396 1.00 0.00 C ATOM 0 H VAL A 27 -11.327 0.763 5.309 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.207 1.865 7.898 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.158 -0.423 8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.139 -0.167 6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.613 1.389 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.247 0.994 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.499 -1.948 6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.539 -0.860 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.771 -1.692 6.751 1.00 0.00 H new ATOM 432 N PRO A 28 -10.576 0.399 9.264 1.00 0.00 N ATOM 433 CA PRO A 28 -9.532 -0.312 9.999 1.00 0.00 C ATOM 434 C PRO A 28 -9.695 -1.824 9.864 1.00 0.00 C ATOM 435 O PRO A 28 -10.760 -2.309 9.470 1.00 0.00 O ATOM 436 CB PRO A 28 -9.743 0.121 11.458 1.00 0.00 C ATOM 437 CG PRO A 28 -10.635 1.315 11.393 1.00 0.00 C ATOM 438 CD PRO A 28 -11.474 1.134 10.163 1.00 0.00 C ATOM 0 HA PRO A 28 -8.534 -0.081 9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.199 -0.678 12.043 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.794 0.365 11.936 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.258 1.386 12.284 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.053 2.235 11.337 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.385 0.573 10.373 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.780 2.090 9.737 1.00 0.00 H new ATOM 446 N LYS A 29 -8.654 -2.564 10.219 1.00 0.00 N ATOM 447 CA LYS A 29 -8.661 -4.018 10.087 1.00 0.00 C ATOM 448 C LYS A 29 -9.764 -4.638 10.941 1.00 0.00 C ATOM 449 O LYS A 29 -10.313 -5.687 10.600 1.00 0.00 O ATOM 450 CB LYS A 29 -7.299 -4.590 10.484 1.00 0.00 C ATOM 451 CG LYS A 29 -6.161 -4.098 9.603 1.00 0.00 C ATOM 452 CD LYS A 29 -4.806 -4.573 10.107 1.00 0.00 C ATOM 453 CE LYS A 29 -4.497 -4.025 11.491 1.00 0.00 C ATOM 454 NZ LYS A 29 -3.108 -4.342 11.909 1.00 0.00 N ATOM 0 H LYS A 29 -7.790 -2.181 10.602 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.859 -4.265 9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.089 -4.324 11.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.342 -5.678 10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.313 -4.451 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.174 -3.009 9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.790 -5.663 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.028 -4.260 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.641 -2.945 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.199 -4.443 12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.933 -3.953 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.978 -5.374 11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.438 -3.922 11.234 1.00 0.00 H new ATOM 468 N LYS A 30 -10.086 -3.976 12.047 1.00 0.00 N ATOM 469 CA LYS A 30 -11.167 -4.419 12.919 1.00 0.00 C ATOM 470 C LYS A 30 -12.508 -4.338 12.199 1.00 0.00 C ATOM 471 O LYS A 30 -13.269 -5.306 12.172 1.00 0.00 O ATOM 472 CB LYS A 30 -11.217 -3.564 14.186 1.00 0.00 C ATOM 473 CG LYS A 30 -9.993 -3.703 15.070 1.00 0.00 C ATOM 474 CD LYS A 30 -10.084 -2.798 16.286 1.00 0.00 C ATOM 475 CE LYS A 30 -8.900 -2.998 17.217 1.00 0.00 C ATOM 476 NZ LYS A 30 -8.904 -4.347 17.845 1.00 0.00 N ATOM 0 H LYS A 30 -9.612 -3.129 12.361 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.973 -5.456 13.193 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.331 -2.518 13.902 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.102 -3.836 14.762 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.891 -4.739 15.392 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.099 -3.457 14.497 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.124 -1.757 15.964 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.010 -3.001 16.824 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.974 -2.861 16.659 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.919 -2.236 17.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.208 -4.373 18.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.850 -4.550 18.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.657 -5.063 17.132 1.00 0.00 H new ATOM 490 N LEU A 31 -12.782 -3.185 11.597 1.00 0.00 N ATOM 491 CA LEU A 31 -14.065 -2.947 10.949 1.00 0.00 C ATOM 492 C LEU A 31 -14.197 -3.747 9.665 1.00 0.00 C ATOM 493 O LEU A 31 -15.302 -4.117 9.278 1.00 0.00 O ATOM 494 CB LEU A 31 -14.270 -1.460 10.665 1.00 0.00 C ATOM 495 CG LEU A 31 -14.496 -0.593 11.902 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.788 0.840 11.500 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.635 -1.150 12.742 1.00 0.00 C ATOM 0 H LEU A 31 -12.132 -2.401 11.545 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.840 -3.280 11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.398 -1.084 10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -15.125 -1.347 9.999 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.586 -0.606 12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.946 1.444 12.394 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.944 1.239 10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.684 0.869 10.879 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.782 -0.520 13.619 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.550 -1.166 12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.391 -2.163 13.060 1.00 0.00 H new ATOM 509 N TYR A 32 -13.074 -4.016 9.010 1.00 0.00 N ATOM 510 CA TYR A 32 -13.090 -4.835 7.808 1.00 0.00 C ATOM 511 C TYR A 32 -13.749 -6.184 8.088 1.00 0.00 C ATOM 512 O TYR A 32 -14.664 -6.592 7.379 1.00 0.00 O ATOM 513 CB TYR A 32 -11.676 -5.047 7.260 1.00 0.00 C ATOM 514 CG TYR A 32 -11.624 -6.114 6.188 1.00 0.00 C ATOM 515 CD1 TYR A 32 -12.144 -5.882 4.919 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.094 -7.366 6.463 1.00 0.00 C ATOM 517 CE1 TYR A 32 -12.129 -6.866 3.948 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.080 -8.359 5.506 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.596 -8.109 4.253 1.00 0.00 C ATOM 520 OH TYR A 32 -11.590 -9.112 3.312 1.00 0.00 O ATOM 0 H TYR A 32 -12.151 -3.682 9.288 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.672 -4.304 7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.303 -4.108 6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.011 -5.325 8.078 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.567 -4.916 4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.686 -7.566 7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.528 -6.669 2.964 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.666 -9.329 5.738 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.096 -8.824 2.524 1.00 0.00 H new ATOM 530 N GLU A 33 -13.293 -6.863 9.131 1.00 0.00 N ATOM 531 CA GLU A 33 -13.853 -8.159 9.487 1.00 0.00 C ATOM 532 C GLU A 33 -15.217 -7.995 10.154 1.00 0.00 C ATOM 533 O GLU A 33 -16.108 -8.834 9.993 1.00 0.00 O ATOM 534 CB GLU A 33 -12.894 -8.932 10.392 1.00 0.00 C ATOM 535 CG GLU A 33 -11.631 -9.381 9.674 1.00 0.00 C ATOM 536 CD GLU A 33 -10.704 -10.193 10.553 1.00 0.00 C ATOM 537 OE1 GLU A 33 -10.996 -11.381 10.798 1.00 0.00 O ATOM 538 OE2 GLU A 33 -9.665 -9.652 10.982 1.00 0.00 O ATOM 0 H GLU A 33 -12.542 -6.541 9.742 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.992 -8.733 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.620 -8.305 11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.407 -9.806 10.794 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.907 -9.974 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.098 -8.504 9.307 1.00 0.00 H new ATOM 545 N TYR A 34 -15.382 -6.884 10.863 1.00 0.00 N ATOM 546 CA TYR A 34 -16.633 -6.576 11.547 1.00 0.00 C ATOM 547 C TYR A 34 -17.775 -6.455 10.536 1.00 0.00 C ATOM 548 O TYR A 34 -18.921 -6.800 10.826 1.00 0.00 O ATOM 549 CB TYR A 34 -16.476 -5.267 12.324 1.00 0.00 C ATOM 550 CG TYR A 34 -17.417 -5.107 13.496 1.00 0.00 C ATOM 551 CD1 TYR A 34 -17.103 -5.653 14.734 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.604 -4.395 13.374 1.00 0.00 C ATOM 553 CE1 TYR A 34 -17.946 -5.498 15.817 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.450 -4.230 14.455 1.00 0.00 C ATOM 555 CZ TYR A 34 -19.116 -4.785 15.674 1.00 0.00 C ATOM 556 OH TYR A 34 -19.951 -4.617 16.758 1.00 0.00 O ATOM 0 H TYR A 34 -14.658 -6.175 10.980 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.871 -7.382 12.240 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.451 -5.198 12.688 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.628 -4.434 11.638 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.184 -6.208 14.852 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.870 -3.964 12.420 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.689 -5.934 16.771 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.367 -3.670 14.346 1.00 0.00 H new ATOM 0 HH TYR A 34 -20.733 -4.090 16.490 1.00 0.00 H new ATOM 566 N LEU A 35 -17.445 -5.961 9.344 1.00 0.00 N ATOM 567 CA LEU A 35 -18.415 -5.847 8.262 1.00 0.00 C ATOM 568 C LEU A 35 -18.286 -7.013 7.288 1.00 0.00 C ATOM 569 O LEU A 35 -19.153 -7.223 6.444 1.00 0.00 O ATOM 570 CB LEU A 35 -18.245 -4.521 7.524 1.00 0.00 C ATOM 571 CG LEU A 35 -18.484 -3.274 8.377 1.00 0.00 C ATOM 572 CD1 LEU A 35 -18.269 -2.022 7.548 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.885 -3.294 8.974 1.00 0.00 C ATOM 0 H LEU A 35 -16.509 -5.633 9.105 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.412 -5.876 8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.235 -4.476 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.932 -4.502 6.678 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.767 -3.271 9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.442 -1.142 8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.246 -2.006 7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.964 -2.018 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -20.036 -2.399 9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.622 -3.319 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -20.001 -4.178 9.601 1.00 0.00 H new ATOM 585 N ASN A 36 -17.201 -7.767 7.408 1.00 0.00 N ATOM 586 CA ASN A 36 -17.020 -8.990 6.629 1.00 0.00 C ATOM 587 C ASN A 36 -18.122 -9.978 6.957 1.00 0.00 C ATOM 588 O ASN A 36 -18.612 -10.707 6.094 1.00 0.00 O ATOM 589 CB ASN A 36 -15.648 -9.605 6.918 1.00 0.00 C ATOM 590 CG ASN A 36 -15.501 -11.019 6.391 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.168 -11.235 5.226 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.719 -11.993 7.262 1.00 0.00 N ATOM 0 H ASN A 36 -16.429 -7.554 8.039 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.071 -8.745 5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.875 -8.977 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.478 -9.606 7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.612 -12.966 6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.994 -11.770 8.219 1.00 0.00 H new ATOM 599 N GLU A 37 -18.515 -9.983 8.219 1.00 0.00 N ATOM 600 CA GLU A 37 -19.607 -10.826 8.677 1.00 0.00 C ATOM 601 C GLU A 37 -20.961 -10.127 8.501 1.00 0.00 C ATOM 602 O GLU A 37 -21.974 -10.566 9.045 1.00 0.00 O ATOM 603 CB GLU A 37 -19.368 -11.212 10.137 1.00 0.00 C ATOM 604 CG GLU A 37 -19.067 -10.029 11.039 1.00 0.00 C ATOM 605 CD GLU A 37 -18.526 -10.459 12.384 1.00 0.00 C ATOM 606 OE1 GLU A 37 -17.302 -10.670 12.496 1.00 0.00 O ATOM 607 OE2 GLU A 37 -19.318 -10.604 13.333 1.00 0.00 O ATOM 0 H GLU A 37 -18.092 -9.410 8.949 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.636 -11.731 8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.249 -11.731 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -18.537 -11.916 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.344 -9.376 10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.976 -9.445 11.185 1.00 0.00 H new ATOM 614 N ASN A 38 -20.973 -9.036 7.735 1.00 0.00 N ATOM 615 CA ASN A 38 -22.205 -8.302 7.438 1.00 0.00 C ATOM 616 C ASN A 38 -22.503 -8.348 5.940 1.00 0.00 C ATOM 617 O ASN A 38 -21.684 -7.932 5.122 1.00 0.00 O ATOM 618 CB ASN A 38 -22.100 -6.842 7.901 1.00 0.00 C ATOM 619 CG ASN A 38 -22.352 -6.655 9.388 1.00 0.00 C ATOM 620 OD1 ASN A 38 -22.809 -5.597 9.820 1.00 0.00 O ATOM 621 ND2 ASN A 38 -22.076 -7.676 10.184 1.00 0.00 N ATOM 0 H ASN A 38 -20.138 -8.638 7.306 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.020 -8.781 7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.107 -6.464 7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -22.816 -6.240 7.341 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.241 -7.599 11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.698 -8.539 9.794 1.00 0.00 H new ATOM 628 N PRO A 39 -23.686 -8.849 5.562 1.00 0.00 N ATOM 629 CA PRO A 39 -24.050 -9.062 4.161 1.00 0.00 C ATOM 630 C PRO A 39 -24.705 -7.848 3.493 1.00 0.00 C ATOM 631 O PRO A 39 -25.406 -7.995 2.490 1.00 0.00 O ATOM 632 CB PRO A 39 -25.047 -10.212 4.262 1.00 0.00 C ATOM 633 CG PRO A 39 -25.735 -10.007 5.573 1.00 0.00 C ATOM 634 CD PRO A 39 -24.767 -9.272 6.471 1.00 0.00 C ATOM 0 HA PRO A 39 -23.174 -9.255 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.757 -10.193 3.435 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.542 -11.177 4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.651 -9.432 5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -26.019 -10.963 6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.241 -8.417 6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.391 -9.917 7.265 1.00 0.00 H new ATOM 642 N TYR A 40 -24.475 -6.653 4.027 1.00 0.00 N ATOM 643 CA TYR A 40 -25.051 -5.448 3.434 1.00 0.00 C ATOM 644 C TYR A 40 -23.987 -4.387 3.168 1.00 0.00 C ATOM 645 O TYR A 40 -24.292 -3.202 3.009 1.00 0.00 O ATOM 646 CB TYR A 40 -26.201 -4.894 4.293 1.00 0.00 C ATOM 647 CG TYR A 40 -25.882 -4.667 5.758 1.00 0.00 C ATOM 648 CD1 TYR A 40 -25.761 -5.735 6.637 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.743 -3.381 6.267 1.00 0.00 C ATOM 650 CE1 TYR A 40 -25.508 -5.531 7.978 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.484 -3.170 7.608 1.00 0.00 C ATOM 652 CZ TYR A 40 -25.370 -4.247 8.459 1.00 0.00 C ATOM 653 OH TYR A 40 -25.118 -4.039 9.794 1.00 0.00 O ATOM 0 H TYR A 40 -23.903 -6.492 4.856 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.471 -5.730 2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.528 -3.948 3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -27.043 -5.583 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -25.867 -6.743 6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -25.839 -2.534 5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -25.419 -6.374 8.648 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -25.371 -2.165 7.987 1.00 0.00 H new ATOM 0 HH TYR A 40 -24.304 -4.519 10.052 1.00 0.00 H new ATOM 663 N PHE A 41 -22.742 -4.829 3.076 1.00 0.00 N ATOM 664 CA PHE A 41 -21.641 -3.964 2.685 1.00 0.00 C ATOM 665 C PHE A 41 -20.871 -4.615 1.554 1.00 0.00 C ATOM 666 O PHE A 41 -20.756 -5.841 1.509 1.00 0.00 O ATOM 667 CB PHE A 41 -20.686 -3.718 3.858 1.00 0.00 C ATOM 668 CG PHE A 41 -21.218 -2.794 4.910 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.958 -3.281 5.972 1.00 0.00 C ATOM 670 CD2 PHE A 41 -20.963 -1.436 4.841 1.00 0.00 C ATOM 671 CE1 PHE A 41 -22.438 -2.427 6.944 1.00 0.00 C ATOM 672 CE2 PHE A 41 -21.440 -0.579 5.811 1.00 0.00 C ATOM 673 CZ PHE A 41 -22.178 -1.075 6.864 1.00 0.00 C ATOM 0 H PHE A 41 -22.468 -5.792 3.269 1.00 0.00 H new ATOM 0 HA PHE A 41 -22.055 -3.007 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.446 -4.675 4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.753 -3.308 3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.162 -4.339 6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.384 -1.042 4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -23.017 -2.818 7.768 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -21.235 0.479 5.745 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.552 -0.406 7.625 1.00 0.00 H new ATOM 683 N ILE A 42 -20.354 -3.815 0.637 1.00 0.00 N ATOM 684 CA ILE A 42 -19.448 -4.343 -0.364 1.00 0.00 C ATOM 685 C ILE A 42 -18.011 -4.087 0.078 1.00 0.00 C ATOM 686 O ILE A 42 -17.624 -2.958 0.393 1.00 0.00 O ATOM 687 CB ILE A 42 -19.692 -3.751 -1.775 1.00 0.00 C ATOM 688 CG1 ILE A 42 -18.817 -4.469 -2.807 1.00 0.00 C ATOM 689 CG2 ILE A 42 -19.425 -2.253 -1.804 1.00 0.00 C ATOM 690 CD1 ILE A 42 -19.041 -4.005 -4.232 1.00 0.00 C ATOM 0 H ILE A 42 -20.542 -2.815 0.566 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.635 -5.414 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.741 -3.906 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -17.769 -4.319 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.010 -5.540 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.606 -1.871 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -20.089 -1.751 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.389 -2.063 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -18.385 -4.560 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.080 -4.180 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -18.820 -2.940 -4.307 1.00 0.00 H new ATOM 702 N LEU A 43 -17.244 -5.154 0.150 1.00 0.00 N ATOM 703 CA LEU A 43 -15.880 -5.076 0.625 1.00 0.00 C ATOM 704 C LEU A 43 -14.917 -5.082 -0.548 1.00 0.00 C ATOM 705 O LEU A 43 -14.735 -6.094 -1.220 1.00 0.00 O ATOM 706 CB LEU A 43 -15.615 -6.232 1.584 1.00 0.00 C ATOM 707 CG LEU A 43 -16.527 -6.225 2.813 1.00 0.00 C ATOM 708 CD1 LEU A 43 -16.693 -7.620 3.380 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.982 -5.282 3.875 1.00 0.00 C ATOM 0 H LEU A 43 -17.545 -6.091 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.726 -4.142 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.744 -7.174 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.576 -6.191 1.912 1.00 0.00 H new ATOM 0 HG LEU A 43 -17.509 -5.870 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.346 -7.583 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.134 -8.270 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.719 -8.012 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.643 -5.289 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.986 -5.608 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.926 -4.272 3.470 1.00 0.00 H new ATOM 721 N THR A 44 -14.321 -3.933 -0.788 1.00 0.00 N ATOM 722 CA THR A 44 -13.456 -3.736 -1.932 1.00 0.00 C ATOM 723 C THR A 44 -12.000 -3.818 -1.498 1.00 0.00 C ATOM 724 O THR A 44 -11.482 -2.918 -0.831 1.00 0.00 O ATOM 725 CB THR A 44 -13.730 -2.372 -2.599 1.00 0.00 C ATOM 726 OG1 THR A 44 -15.141 -2.219 -2.824 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.987 -2.253 -3.922 1.00 0.00 C ATOM 0 H THR A 44 -14.423 -3.109 -0.195 1.00 0.00 H new ATOM 0 HA THR A 44 -13.662 -4.521 -2.660 1.00 0.00 H new ATOM 0 HB THR A 44 -13.375 -1.586 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.313 -1.351 -3.246 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.197 -1.282 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.915 -2.347 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.316 -3.044 -4.596 1.00 0.00 H new ATOM 735 N GLN A 45 -11.354 -4.913 -1.855 1.00 0.00 N ATOM 736 CA GLN A 45 -9.987 -5.158 -1.438 1.00 0.00 C ATOM 737 C GLN A 45 -9.045 -5.000 -2.613 1.00 0.00 C ATOM 738 O GLN A 45 -9.046 -5.819 -3.532 1.00 0.00 O ATOM 739 CB GLN A 45 -9.856 -6.567 -0.878 1.00 0.00 C ATOM 740 CG GLN A 45 -10.956 -6.941 0.088 1.00 0.00 C ATOM 741 CD GLN A 45 -10.945 -8.416 0.425 1.00 0.00 C ATOM 742 OE1 GLN A 45 -11.989 -9.005 0.694 1.00 0.00 O ATOM 743 NE2 GLN A 45 -9.767 -9.021 0.418 1.00 0.00 N ATOM 0 H GLN A 45 -11.757 -5.649 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.727 -4.434 -0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.853 -7.278 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.894 -6.660 -0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.846 -6.360 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.921 -6.676 -0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.924 -8.494 0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.702 -10.014 0.642 1.00 0.00 H new ATOM 752 N GLU A 46 -8.241 -3.955 -2.589 1.00 0.00 N ATOM 753 CA GLU A 46 -7.308 -3.730 -3.678 1.00 0.00 C ATOM 754 C GLU A 46 -5.914 -4.171 -3.262 1.00 0.00 C ATOM 755 O GLU A 46 -5.248 -3.503 -2.470 1.00 0.00 O ATOM 756 CB GLU A 46 -7.283 -2.248 -4.040 1.00 0.00 C ATOM 757 CG GLU A 46 -8.655 -1.614 -4.112 1.00 0.00 C ATOM 758 CD GLU A 46 -8.582 -0.132 -4.387 1.00 0.00 C ATOM 759 OE1 GLU A 46 -8.113 0.611 -3.497 1.00 0.00 O ATOM 760 OE2 GLU A 46 -8.967 0.288 -5.499 1.00 0.00 O ATOM 0 H GLU A 46 -8.213 -3.260 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.628 -4.309 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.684 -1.713 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.786 -2.127 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.237 -2.099 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.181 -1.782 -3.173 1.00 0.00 H new ATOM 767 N LEU A 47 -5.498 -5.314 -3.784 1.00 0.00 N ATOM 768 CA LEU A 47 -4.143 -5.792 -3.589 1.00 0.00 C ATOM 769 C LEU A 47 -3.446 -5.946 -4.937 1.00 0.00 C ATOM 770 O LEU A 47 -3.603 -6.967 -5.607 1.00 0.00 O ATOM 771 CB LEU A 47 -4.139 -7.124 -2.827 1.00 0.00 C ATOM 772 CG LEU A 47 -2.754 -7.699 -2.517 1.00 0.00 C ATOM 773 CD1 LEU A 47 -1.958 -6.737 -1.646 1.00 0.00 C ATOM 774 CD2 LEU A 47 -2.882 -9.054 -1.836 1.00 0.00 C ATOM 0 H LEU A 47 -6.084 -5.929 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.599 -5.060 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.676 -6.988 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.696 -7.858 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.218 -7.834 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.977 -7.163 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.838 -5.788 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.489 -6.570 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.889 -9.449 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.436 -8.942 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.413 -9.743 -2.493 1.00 0.00 H new ATOM 786 N ASN A 48 -2.693 -4.939 -5.339 1.00 0.00 N ATOM 787 CA ASN A 48 -1.939 -5.017 -6.581 1.00 0.00 C ATOM 788 C ASN A 48 -0.464 -4.787 -6.313 1.00 0.00 C ATOM 789 O ASN A 48 0.010 -3.651 -6.276 1.00 0.00 O ATOM 790 CB ASN A 48 -2.449 -4.017 -7.624 1.00 0.00 C ATOM 791 CG ASN A 48 -3.836 -4.357 -8.140 1.00 0.00 C ATOM 792 OD1 ASN A 48 -3.989 -5.143 -9.077 1.00 0.00 O ATOM 793 ND2 ASN A 48 -4.857 -3.749 -7.549 1.00 0.00 N ATOM 0 H ASN A 48 -2.586 -4.062 -4.829 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.081 -6.018 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.464 -3.019 -7.186 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.752 -3.987 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.810 -3.926 -7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.689 -3.105 -6.776 1.00 0.00 H new ATOM 800 N ASN A 49 0.252 -5.875 -6.093 1.00 0.00 N ATOM 801 CA ASN A 49 1.674 -5.804 -5.806 1.00 0.00 C ATOM 802 C ASN A 49 2.471 -5.750 -7.104 1.00 0.00 C ATOM 803 O ASN A 49 2.756 -6.780 -7.716 1.00 0.00 O ATOM 804 CB ASN A 49 2.115 -7.007 -4.960 1.00 0.00 C ATOM 805 CG ASN A 49 3.596 -6.973 -4.626 1.00 0.00 C ATOM 806 OD1 ASN A 49 4.004 -6.408 -3.612 1.00 0.00 O ATOM 807 ND2 ASN A 49 4.406 -7.588 -5.470 1.00 0.00 N ATOM 0 H ASN A 49 -0.129 -6.821 -6.108 1.00 0.00 H new ATOM 0 HA ASN A 49 1.867 -4.894 -5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.538 -7.028 -4.035 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.888 -7.928 -5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.410 -7.606 -5.292 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.027 -8.045 -6.300 1.00 0.00 H new ATOM 814 N GLN A 50 2.780 -4.540 -7.544 1.00 0.00 N ATOM 815 CA GLN A 50 3.595 -4.350 -8.735 1.00 0.00 C ATOM 816 C GLN A 50 4.932 -3.711 -8.356 1.00 0.00 C ATOM 817 O GLN A 50 5.840 -3.589 -9.182 1.00 0.00 O ATOM 818 CB GLN A 50 2.845 -3.483 -9.755 1.00 0.00 C ATOM 819 CG GLN A 50 3.478 -3.465 -11.142 1.00 0.00 C ATOM 820 CD GLN A 50 3.554 -4.845 -11.776 1.00 0.00 C ATOM 821 OE1 GLN A 50 2.631 -5.279 -12.463 1.00 0.00 O ATOM 822 NE2 GLN A 50 4.662 -5.538 -11.559 1.00 0.00 N ATOM 0 H GLN A 50 2.479 -3.675 -7.095 1.00 0.00 H new ATOM 0 HA GLN A 50 3.794 -5.320 -9.192 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.820 -3.845 -9.840 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.792 -2.462 -9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.902 -2.804 -11.790 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.482 -3.047 -11.072 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.406 -5.144 -10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.771 -6.466 -11.968 1.00 0.00 H new ATOM 831 N LYS A 51 5.057 -3.322 -7.090 1.00 0.00 N ATOM 832 CA LYS A 51 6.278 -2.694 -6.595 1.00 0.00 C ATOM 833 C LYS A 51 6.781 -3.386 -5.332 1.00 0.00 C ATOM 834 O LYS A 51 6.318 -3.098 -4.227 1.00 0.00 O ATOM 835 CB LYS A 51 6.057 -1.205 -6.308 1.00 0.00 C ATOM 836 CG LYS A 51 6.021 -0.326 -7.549 1.00 0.00 C ATOM 837 CD LYS A 51 5.890 1.141 -7.173 1.00 0.00 C ATOM 838 CE LYS A 51 6.048 2.050 -8.380 1.00 0.00 C ATOM 839 NZ LYS A 51 5.940 3.484 -8.004 1.00 0.00 N ATOM 0 H LYS A 51 4.326 -3.431 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 51 7.031 -2.795 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.119 -1.087 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.851 -0.852 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.930 -0.476 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.184 -0.619 -8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.917 1.313 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.643 1.394 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.015 1.868 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.285 1.809 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.053 4.075 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.008 3.662 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.684 3.720 -7.317 1.00 0.00 H new ATOM 853 N ASP A 52 7.694 -4.328 -5.516 1.00 0.00 N ATOM 854 CA ASP A 52 8.397 -4.960 -4.401 1.00 0.00 C ATOM 855 C ASP A 52 9.851 -5.205 -4.785 1.00 0.00 C ATOM 856 O ASP A 52 10.638 -5.750 -4.009 1.00 0.00 O ATOM 857 CB ASP A 52 7.725 -6.284 -3.999 1.00 0.00 C ATOM 858 CG ASP A 52 7.904 -7.384 -5.028 1.00 0.00 C ATOM 859 OD1 ASP A 52 7.070 -7.484 -5.951 1.00 0.00 O ATOM 860 OD2 ASP A 52 8.864 -8.175 -4.908 1.00 0.00 O ATOM 0 H ASP A 52 7.970 -4.676 -6.434 1.00 0.00 H new ATOM 0 HA ASP A 52 8.355 -4.289 -3.543 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.136 -6.617 -3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.660 -6.111 -3.844 1.00 0.00 H new ATOM 865 N ASP A 53 10.198 -4.783 -5.992 1.00 0.00 N ATOM 866 CA ASP A 53 11.537 -4.978 -6.526 1.00 0.00 C ATOM 867 C ASP A 53 12.432 -3.797 -6.159 1.00 0.00 C ATOM 868 O ASP A 53 12.069 -2.642 -6.383 1.00 0.00 O ATOM 869 CB ASP A 53 11.467 -5.149 -8.050 1.00 0.00 C ATOM 870 CG ASP A 53 12.810 -5.453 -8.690 1.00 0.00 C ATOM 871 OD1 ASP A 53 13.563 -6.288 -8.145 1.00 0.00 O ATOM 872 OD2 ASP A 53 13.095 -4.902 -9.776 1.00 0.00 O ATOM 0 H ASP A 53 9.563 -4.298 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 53 11.967 -5.880 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.771 -5.954 -8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.062 -4.238 -8.491 1.00 0.00 H new ATOM 877 N PRO A 54 13.598 -4.072 -5.549 1.00 0.00 N ATOM 878 CA PRO A 54 14.578 -3.039 -5.205 1.00 0.00 C ATOM 879 C PRO A 54 15.188 -2.401 -6.450 1.00 0.00 C ATOM 880 O PRO A 54 14.799 -2.734 -7.565 1.00 0.00 O ATOM 881 CB PRO A 54 15.654 -3.798 -4.413 1.00 0.00 C ATOM 882 CG PRO A 54 15.030 -5.102 -4.046 1.00 0.00 C ATOM 883 CD PRO A 54 14.047 -5.407 -5.137 1.00 0.00 C ATOM 0 HA PRO A 54 14.126 -2.221 -4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.552 -3.947 -5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.953 -3.242 -3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.782 -5.887 -3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.533 -5.039 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 54 14.511 -5.950 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.220 -6.019 -4.777 1.00 0.00 H new ATOM 891 N ILE A 55 16.144 -1.482 -6.240 1.00 0.00 N ATOM 892 CA ILE A 55 16.823 -0.745 -7.327 1.00 0.00 C ATOM 893 C ILE A 55 15.810 -0.152 -8.324 1.00 0.00 C ATOM 894 O ILE A 55 16.125 0.136 -9.476 1.00 0.00 O ATOM 895 CB ILE A 55 17.901 -1.620 -8.048 1.00 0.00 C ATOM 896 CG1 ILE A 55 18.840 -0.749 -8.888 1.00 0.00 C ATOM 897 CG2 ILE A 55 17.287 -2.703 -8.926 1.00 0.00 C ATOM 898 CD1 ILE A 55 19.679 0.208 -8.073 1.00 0.00 C ATOM 0 H ILE A 55 16.472 -1.226 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 55 17.353 0.088 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 55 18.469 -2.115 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 55 19.501 -1.396 -9.465 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.248 -0.179 -9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 55 18.081 -3.279 -9.402 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.675 -3.365 -8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.665 -2.241 -9.693 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.317 0.789 -8.738 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.026 0.881 -7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.299 -0.355 -7.376 1.00 0.00 H new ATOM 910 N ASN A 56 14.603 0.087 -7.837 1.00 0.00 N ATOM 911 CA ASN A 56 13.523 0.608 -8.666 1.00 0.00 C ATOM 912 C ASN A 56 12.699 1.611 -7.870 1.00 0.00 C ATOM 913 O ASN A 56 11.823 1.237 -7.087 1.00 0.00 O ATOM 914 CB ASN A 56 12.635 -0.537 -9.173 1.00 0.00 C ATOM 915 CG ASN A 56 11.664 -0.108 -10.264 1.00 0.00 C ATOM 916 OD1 ASN A 56 11.214 1.037 -10.311 1.00 0.00 O ATOM 917 ND2 ASN A 56 11.334 -1.038 -11.150 1.00 0.00 N ATOM 0 H ASN A 56 14.343 -0.073 -6.864 1.00 0.00 H new ATOM 0 HA ASN A 56 13.953 1.113 -9.531 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.269 -1.337 -9.555 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.071 -0.948 -8.336 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.685 -0.816 -11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.729 -1.976 -11.076 1.00 0.00 H new ATOM 924 N TYR A 57 13.012 2.883 -8.044 1.00 0.00 N ATOM 925 CA TYR A 57 12.325 3.951 -7.337 1.00 0.00 C ATOM 926 C TYR A 57 12.114 5.131 -8.271 1.00 0.00 C ATOM 927 O TYR A 57 12.774 5.233 -9.305 1.00 0.00 O ATOM 928 CB TYR A 57 13.133 4.404 -6.115 1.00 0.00 C ATOM 929 CG TYR A 57 13.418 3.306 -5.111 1.00 0.00 C ATOM 930 CD1 TYR A 57 12.538 3.047 -4.069 1.00 0.00 C ATOM 931 CD2 TYR A 57 14.569 2.531 -5.206 1.00 0.00 C ATOM 932 CE1 TYR A 57 12.795 2.046 -3.150 1.00 0.00 C ATOM 933 CE2 TYR A 57 14.833 1.530 -4.292 1.00 0.00 C ATOM 934 CZ TYR A 57 13.943 1.291 -3.266 1.00 0.00 C ATOM 935 OH TYR A 57 14.204 0.296 -2.353 1.00 0.00 O ATOM 0 H TYR A 57 13.746 3.204 -8.676 1.00 0.00 H new ATOM 0 HA TYR A 57 11.361 3.573 -6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 57 14.080 4.823 -6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.592 5.206 -5.614 1.00 0.00 H new ATOM 0 HD1 TYR A 57 11.638 3.637 -3.975 1.00 0.00 H new ATOM 0 HD2 TYR A 57 15.268 2.715 -6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.100 1.857 -2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 57 15.732 0.937 -4.380 1.00 0.00 H new ATOM 0 HH TYR A 57 15.052 -0.141 -2.579 1.00 0.00 H new ATOM 945 N THR A 58 11.199 6.015 -7.908 1.00 0.00 N ATOM 946 CA THR A 58 10.955 7.220 -8.680 1.00 0.00 C ATOM 947 C THR A 58 12.219 8.072 -8.702 1.00 0.00 C ATOM 948 O THR A 58 12.848 8.259 -7.666 1.00 0.00 O ATOM 949 CB THR A 58 9.797 8.028 -8.065 1.00 0.00 C ATOM 950 OG1 THR A 58 8.839 7.134 -7.478 1.00 0.00 O ATOM 951 CG2 THR A 58 9.114 8.888 -9.117 1.00 0.00 C ATOM 0 H THR A 58 10.611 5.919 -7.080 1.00 0.00 H new ATOM 0 HA THR A 58 10.683 6.939 -9.697 1.00 0.00 H new ATOM 0 HB THR A 58 10.207 8.683 -7.297 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.089 6.951 -6.548 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.300 9.448 -8.657 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.837 9.583 -9.544 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.715 8.250 -9.905 1.00 0.00 H new ATOM 959 N GLU A 59 12.615 8.575 -9.867 1.00 0.00 N ATOM 960 CA GLU A 59 13.828 9.379 -9.938 1.00 0.00 C ATOM 961 C GLU A 59 13.627 10.682 -9.171 1.00 0.00 C ATOM 962 O GLU A 59 14.555 11.199 -8.558 1.00 0.00 O ATOM 963 CB GLU A 59 14.251 9.655 -11.384 1.00 0.00 C ATOM 964 CG GLU A 59 13.452 10.739 -12.083 1.00 0.00 C ATOM 965 CD GLU A 59 14.345 11.669 -12.876 1.00 0.00 C ATOM 966 OE1 GLU A 59 14.969 12.560 -12.262 1.00 0.00 O ATOM 967 OE2 GLU A 59 14.446 11.499 -14.108 1.00 0.00 O ATOM 0 H GLU A 59 12.128 8.445 -10.753 1.00 0.00 H new ATOM 0 HA GLU A 59 14.637 8.812 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.304 9.936 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.163 8.732 -11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.721 10.280 -12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.893 11.313 -11.344 1.00 0.00 H new ATOM 974 N SER A 60 12.395 11.185 -9.186 1.00 0.00 N ATOM 975 CA SER A 60 12.034 12.355 -8.400 1.00 0.00 C ATOM 976 C SER A 60 12.033 12.001 -6.916 1.00 0.00 C ATOM 977 O SER A 60 12.222 12.858 -6.057 1.00 0.00 O ATOM 978 CB SER A 60 10.653 12.852 -8.823 1.00 0.00 C ATOM 979 OG SER A 60 10.566 12.963 -10.233 1.00 0.00 O ATOM 0 H SER A 60 11.630 10.797 -9.737 1.00 0.00 H new ATOM 0 HA SER A 60 12.764 13.145 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.888 12.165 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.455 13.821 -8.365 1.00 0.00 H new ATOM 0 HG SER A 60 9.673 13.281 -10.482 1.00 0.00 H new ATOM 985 N GLU A 61 11.834 10.720 -6.635 1.00 0.00 N ATOM 986 CA GLU A 61 11.824 10.217 -5.269 1.00 0.00 C ATOM 987 C GLU A 61 13.257 9.996 -4.787 1.00 0.00 C ATOM 988 O GLU A 61 13.583 10.235 -3.626 1.00 0.00 O ATOM 989 CB GLU A 61 11.014 8.921 -5.244 1.00 0.00 C ATOM 990 CG GLU A 61 10.941 8.206 -3.910 1.00 0.00 C ATOM 991 CD GLU A 61 10.021 7.002 -3.987 1.00 0.00 C ATOM 992 OE1 GLU A 61 9.926 6.387 -5.076 1.00 0.00 O ATOM 993 OE2 GLU A 61 9.361 6.683 -2.977 1.00 0.00 O ATOM 0 H GLU A 61 11.676 10.004 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 61 11.362 10.937 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.998 9.145 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.440 8.236 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.939 7.887 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.582 8.894 -3.144 1.00 0.00 H new ATOM 1000 N LEU A 62 14.112 9.568 -5.707 1.00 0.00 N ATOM 1001 CA LEU A 62 15.532 9.397 -5.432 1.00 0.00 C ATOM 1002 C LEU A 62 16.270 10.721 -5.568 1.00 0.00 C ATOM 1003 O LEU A 62 17.465 10.806 -5.282 1.00 0.00 O ATOM 1004 CB LEU A 62 16.139 8.373 -6.390 1.00 0.00 C ATOM 1005 CG LEU A 62 15.608 6.949 -6.239 1.00 0.00 C ATOM 1006 CD1 LEU A 62 16.162 6.058 -7.337 1.00 0.00 C ATOM 1007 CD2 LEU A 62 15.964 6.394 -4.867 1.00 0.00 C ATOM 0 H LEU A 62 13.842 9.330 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 62 15.637 9.038 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.959 8.704 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.219 8.359 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 62 14.522 6.971 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.774 5.047 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.860 6.448 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.250 6.039 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.579 5.379 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.048 6.383 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.521 7.022 -4.094 1.00 0.00 H new ATOM 1019 N LYS A 63 15.550 11.741 -6.028 1.00 0.00 N ATOM 1020 CA LYS A 63 16.105 13.080 -6.172 1.00 0.00 C ATOM 1021 C LYS A 63 16.432 13.648 -4.799 1.00 0.00 C ATOM 1022 O LYS A 63 17.310 14.501 -4.655 1.00 0.00 O ATOM 1023 CB LYS A 63 15.111 13.996 -6.898 1.00 0.00 C ATOM 1024 CG LYS A 63 15.733 14.844 -8.001 1.00 0.00 C ATOM 1025 CD LYS A 63 16.174 13.993 -9.186 1.00 0.00 C ATOM 1026 CE LYS A 63 16.632 14.850 -10.357 1.00 0.00 C ATOM 1027 NZ LYS A 63 17.014 14.025 -11.535 1.00 0.00 N ATOM 0 H LYS A 63 14.573 11.662 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 63 17.018 13.023 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.318 13.384 -7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.643 14.656 -6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.012 15.590 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.591 15.386 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.986 13.334 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.349 13.355 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.833 15.536 -10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.482 15.459 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.926 14.594 -12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.998 13.704 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.386 13.199 -11.599 1.00 0.00 H new ATOM 1041 N GLY A 64 15.704 13.175 -3.796 1.00 0.00 N ATOM 1042 CA GLY A 64 16.010 13.521 -2.426 1.00 0.00 C ATOM 1043 C GLY A 64 16.774 12.406 -1.746 1.00 0.00 C ATOM 1044 O GLY A 64 17.869 12.046 -2.186 1.00 0.00 O ATOM 0 H GLY A 64 14.903 12.554 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.598 14.438 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.087 13.719 -1.882 1.00 0.00 H new ATOM 1048 N MET A 65 16.190 11.855 -0.684 1.00 0.00 N ATOM 1049 CA MET A 65 16.749 10.688 0.000 1.00 0.00 C ATOM 1050 C MET A 65 18.153 10.961 0.540 1.00 0.00 C ATOM 1051 O MET A 65 18.542 12.109 0.769 1.00 0.00 O ATOM 1052 CB MET A 65 16.783 9.483 -0.947 1.00 0.00 C ATOM 1053 CG MET A 65 15.412 8.927 -1.290 1.00 0.00 C ATOM 1054 SD MET A 65 14.552 8.267 0.152 1.00 0.00 S ATOM 1055 CE MET A 65 13.053 7.645 -0.608 1.00 0.00 C ATOM 0 H MET A 65 15.322 12.201 -0.275 1.00 0.00 H new ATOM 0 HA MET A 65 16.101 10.468 0.849 1.00 0.00 H new ATOM 0 HB2 MET A 65 17.287 9.773 -1.869 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.380 8.693 -0.492 1.00 0.00 H new ATOM 0 HG2 MET A 65 14.807 9.714 -1.741 1.00 0.00 H new ATOM 0 HG3 MET A 65 15.519 8.140 -2.036 1.00 0.00 H new ATOM 0 HE1 MET A 65 12.413 7.204 0.157 1.00 0.00 H new ATOM 0 HE2 MET A 65 12.524 8.465 -1.094 1.00 0.00 H new ATOM 0 HE3 MET A 65 13.308 6.887 -1.349 1.00 0.00 H new ATOM 1065 N ASN A 66 18.896 9.885 0.758 1.00 0.00 N ATOM 1066 CA ASN A 66 20.260 9.962 1.263 1.00 0.00 C ATOM 1067 C ASN A 66 21.194 9.246 0.284 1.00 0.00 C ATOM 1068 O ASN A 66 20.743 8.418 -0.518 1.00 0.00 O ATOM 1069 CB ASN A 66 20.323 9.295 2.651 1.00 0.00 C ATOM 1070 CG ASN A 66 21.582 9.611 3.445 1.00 0.00 C ATOM 1071 OD1 ASN A 66 22.637 9.914 2.892 1.00 0.00 O ATOM 1072 ND2 ASN A 66 21.481 9.509 4.759 1.00 0.00 N ATOM 0 H ASN A 66 18.570 8.933 0.590 1.00 0.00 H new ATOM 0 HA ASN A 66 20.572 11.002 1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 66 19.455 9.608 3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.249 8.215 2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 66 22.295 9.684 5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 66 20.589 9.255 5.184 1.00 0.00 H new ATOM 1079 N LYS A 67 22.482 9.566 0.324 1.00 0.00 N ATOM 1080 CA LYS A 67 23.457 8.855 -0.485 1.00 0.00 C ATOM 1081 C LYS A 67 23.578 7.419 0.012 1.00 0.00 C ATOM 1082 O LYS A 67 23.722 6.491 -0.782 1.00 0.00 O ATOM 1083 CB LYS A 67 24.831 9.541 -0.455 1.00 0.00 C ATOM 1084 CG LYS A 67 25.463 9.617 0.929 1.00 0.00 C ATOM 1085 CD LYS A 67 26.948 9.929 0.844 1.00 0.00 C ATOM 1086 CE LYS A 67 27.592 9.985 2.220 1.00 0.00 C ATOM 1087 NZ LYS A 67 29.074 10.088 2.134 1.00 0.00 N ATOM 0 H LYS A 67 22.871 10.309 0.905 1.00 0.00 H new ATOM 0 HA LYS A 67 23.110 8.862 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 67 25.507 9.005 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 67 24.728 10.551 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 67 24.961 10.385 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.318 8.670 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 67 27.445 9.170 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 67 27.091 10.883 0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 67 27.200 10.840 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 67 27.322 9.092 2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 29.476 10.124 3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 29.451 9.259 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 29.332 10.953 1.618 1.00 0.00 H new ATOM 1101 N ALA A 68 23.479 7.253 1.333 1.00 0.00 N ATOM 1102 CA ALA A 68 23.573 5.940 1.964 1.00 0.00 C ATOM 1103 C ALA A 68 22.457 5.023 1.490 1.00 0.00 C ATOM 1104 O ALA A 68 22.641 3.812 1.383 1.00 0.00 O ATOM 1105 CB ALA A 68 23.538 6.073 3.477 1.00 0.00 C ATOM 0 H ALA A 68 23.333 8.020 1.989 1.00 0.00 H new ATOM 0 HA ALA A 68 24.525 5.495 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 68 23.609 5.085 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 68 24.377 6.685 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 68 22.603 6.545 3.779 1.00 0.00 H new ATOM 1111 N GLU A 69 21.298 5.605 1.205 1.00 0.00 N ATOM 1112 CA GLU A 69 20.190 4.839 0.655 1.00 0.00 C ATOM 1113 C GLU A 69 20.590 4.275 -0.701 1.00 0.00 C ATOM 1114 O GLU A 69 20.564 3.066 -0.906 1.00 0.00 O ATOM 1115 CB GLU A 69 18.930 5.701 0.529 1.00 0.00 C ATOM 1116 CG GLU A 69 18.501 6.350 1.836 1.00 0.00 C ATOM 1117 CD GLU A 69 18.413 5.360 2.982 1.00 0.00 C ATOM 1118 OE1 GLU A 69 17.369 4.692 3.122 1.00 0.00 O ATOM 1119 OE2 GLU A 69 19.388 5.253 3.751 1.00 0.00 O ATOM 0 H GLU A 69 21.103 6.596 1.345 1.00 0.00 H new ATOM 0 HA GLU A 69 19.960 4.018 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.106 6.480 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.114 5.083 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.209 7.137 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.531 6.827 1.698 1.00 0.00 H new ATOM 1126 N HIS A 70 20.988 5.165 -1.614 1.00 0.00 N ATOM 1127 CA HIS A 70 21.492 4.765 -2.927 1.00 0.00 C ATOM 1128 C HIS A 70 22.595 3.721 -2.793 1.00 0.00 C ATOM 1129 O HIS A 70 22.646 2.771 -3.568 1.00 0.00 O ATOM 1130 CB HIS A 70 22.025 5.980 -3.693 1.00 0.00 C ATOM 1131 CG HIS A 70 20.963 6.946 -4.125 1.00 0.00 C ATOM 1132 ND1 HIS A 70 20.493 7.964 -3.321 1.00 0.00 N ATOM 1133 CD2 HIS A 70 20.279 7.050 -5.291 1.00 0.00 C ATOM 1134 CE1 HIS A 70 19.576 8.649 -3.976 1.00 0.00 C ATOM 1135 NE2 HIS A 70 19.427 8.116 -5.171 1.00 0.00 N ATOM 0 H HIS A 70 20.970 6.174 -1.465 1.00 0.00 H new ATOM 0 HA HIS A 70 20.662 4.329 -3.482 1.00 0.00 H new ATOM 0 HB2 HIS A 70 22.745 6.505 -3.065 1.00 0.00 H new ATOM 0 HB3 HIS A 70 22.565 5.632 -4.574 1.00 0.00 H new ATOM 0 HD1 HIS A 70 20.806 8.157 -2.369 1.00 0.00 H new ATOM 0 HD2 HIS A 70 20.386 6.411 -6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 70 19.037 9.504 -3.596 1.00 0.00 H new ATOM 1144 N GLU A 71 23.472 3.909 -1.807 1.00 0.00 N ATOM 1145 CA GLU A 71 24.516 2.935 -1.507 1.00 0.00 C ATOM 1146 C GLU A 71 23.919 1.548 -1.339 1.00 0.00 C ATOM 1147 O GLU A 71 24.179 0.654 -2.141 1.00 0.00 O ATOM 1148 CB GLU A 71 25.267 3.321 -0.227 1.00 0.00 C ATOM 1149 CG GLU A 71 26.291 4.427 -0.402 1.00 0.00 C ATOM 1150 CD GLU A 71 27.528 3.950 -1.128 1.00 0.00 C ATOM 1151 OE1 GLU A 71 28.187 3.014 -0.633 1.00 0.00 O ATOM 1152 OE2 GLU A 71 27.854 4.520 -2.185 1.00 0.00 O ATOM 0 H GLU A 71 23.478 4.730 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 71 25.215 2.928 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 71 24.541 3.632 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 71 25.771 2.437 0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 71 25.842 5.251 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 71 26.573 4.817 0.576 1.00 0.00 H new ATOM 1159 N SER A 72 23.100 1.390 -0.308 1.00 0.00 N ATOM 1160 CA SER A 72 22.485 0.108 0.000 1.00 0.00 C ATOM 1161 C SER A 72 21.682 -0.421 -1.190 1.00 0.00 C ATOM 1162 O SER A 72 21.797 -1.594 -1.550 1.00 0.00 O ATOM 1163 CB SER A 72 21.592 0.260 1.231 1.00 0.00 C ATOM 1164 OG SER A 72 22.333 0.775 2.328 1.00 0.00 O ATOM 0 H SER A 72 22.845 2.141 0.333 1.00 0.00 H new ATOM 0 HA SER A 72 23.270 -0.618 0.211 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.760 0.926 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.163 -0.706 1.497 1.00 0.00 H new ATOM 0 HG SER A 72 22.418 1.747 2.238 1.00 0.00 H new ATOM 1170 N ILE A 73 20.905 0.461 -1.815 1.00 0.00 N ATOM 1171 CA ILE A 73 20.070 0.099 -2.958 1.00 0.00 C ATOM 1172 C ILE A 73 20.885 -0.589 -4.058 1.00 0.00 C ATOM 1173 O ILE A 73 20.601 -1.732 -4.437 1.00 0.00 O ATOM 1174 CB ILE A 73 19.363 1.343 -3.556 1.00 0.00 C ATOM 1175 CG1 ILE A 73 18.397 1.960 -2.539 1.00 0.00 C ATOM 1176 CG2 ILE A 73 18.617 0.975 -4.832 1.00 0.00 C ATOM 1177 CD1 ILE A 73 17.819 3.291 -2.979 1.00 0.00 C ATOM 0 H ILE A 73 20.836 1.442 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 73 19.319 -0.598 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 73 20.127 2.081 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.580 1.262 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.918 2.095 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.128 1.861 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.322 0.583 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.867 0.216 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 73 17.145 3.667 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 73 18.628 4.005 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 73 17.269 3.159 -3.911 1.00 0.00 H new ATOM 1189 N ILE A 74 21.920 0.084 -4.548 1.00 0.00 N ATOM 1190 CA ILE A 74 22.640 -0.421 -5.705 1.00 0.00 C ATOM 1191 C ILE A 74 23.657 -1.481 -5.289 1.00 0.00 C ATOM 1192 O ILE A 74 24.073 -2.309 -6.102 1.00 0.00 O ATOM 1193 CB ILE A 74 23.341 0.700 -6.502 1.00 0.00 C ATOM 1194 CG1 ILE A 74 22.545 2.005 -6.421 1.00 0.00 C ATOM 1195 CG2 ILE A 74 23.460 0.271 -7.955 1.00 0.00 C ATOM 1196 CD1 ILE A 74 23.216 3.173 -7.115 1.00 0.00 C ATOM 0 H ILE A 74 22.272 0.963 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 74 21.897 -0.872 -6.362 1.00 0.00 H new ATOM 0 HB ILE A 74 24.329 0.872 -6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.561 1.848 -6.863 1.00 0.00 H new ATOM 0 HG13 ILE A 74 22.387 2.259 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 74 23.954 1.056 -8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 74 24.046 -0.646 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 74 22.466 0.095 -8.365 1.00 0.00 H new ATOM 0 HD11 ILE A 74 22.593 4.062 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 74 24.188 3.358 -6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 74 23.350 2.940 -8.171 1.00 0.00 H new ATOM 1208 N SER A 75 24.041 -1.473 -4.017 1.00 0.00 N ATOM 1209 CA SER A 75 24.901 -2.522 -3.486 1.00 0.00 C ATOM 1210 C SER A 75 24.139 -3.844 -3.439 1.00 0.00 C ATOM 1211 O SER A 75 24.717 -4.911 -3.645 1.00 0.00 O ATOM 1212 CB SER A 75 25.423 -2.154 -2.093 1.00 0.00 C ATOM 1213 OG SER A 75 26.227 -0.986 -2.142 1.00 0.00 O ATOM 0 H SER A 75 23.773 -0.758 -3.340 1.00 0.00 H new ATOM 0 HA SER A 75 25.761 -2.630 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 75 24.583 -1.993 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 75 26.004 -2.983 -1.688 1.00 0.00 H new ATOM 0 HG SER A 75 25.653 -0.192 -2.104 1.00 0.00 H new ATOM 1219 N ASN A 76 22.832 -3.767 -3.188 1.00 0.00 N ATOM 1220 CA ASN A 76 21.976 -4.949 -3.235 1.00 0.00 C ATOM 1221 C ASN A 76 21.753 -5.372 -4.682 1.00 0.00 C ATOM 1222 O ASN A 76 21.512 -6.544 -4.967 1.00 0.00 O ATOM 1223 CB ASN A 76 20.628 -4.697 -2.545 1.00 0.00 C ATOM 1224 CG ASN A 76 20.755 -4.468 -1.047 1.00 0.00 C ATOM 1225 OD1 ASN A 76 19.940 -3.770 -0.445 1.00 0.00 O ATOM 1226 ND2 ASN A 76 21.773 -5.054 -0.432 1.00 0.00 N ATOM 0 H ASN A 76 22.346 -2.902 -2.951 1.00 0.00 H new ATOM 0 HA ASN A 76 22.481 -5.751 -2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.151 -3.829 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.972 -5.549 -2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 76 21.900 -4.933 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 76 22.429 -5.626 -0.964 1.00 0.00 H new ATOM 1233 N LEU A 77 21.820 -4.407 -5.595 1.00 0.00 N ATOM 1234 CA LEU A 77 21.796 -4.709 -7.024 1.00 0.00 C ATOM 1235 C LEU A 77 23.055 -5.484 -7.421 1.00 0.00 C ATOM 1236 O LEU A 77 23.036 -6.290 -8.353 1.00 0.00 O ATOM 1237 CB LEU A 77 21.693 -3.423 -7.851 1.00 0.00 C ATOM 1238 CG LEU A 77 21.693 -3.623 -9.370 1.00 0.00 C ATOM 1239 CD1 LEU A 77 20.435 -4.347 -9.814 1.00 0.00 C ATOM 1240 CD2 LEU A 77 21.826 -2.292 -10.090 1.00 0.00 C ATOM 0 H LEU A 77 21.891 -3.414 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 77 20.919 -5.323 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 77 20.779 -2.901 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 77 22.526 -2.772 -7.586 1.00 0.00 H new ATOM 0 HG LEU A 77 22.554 -4.238 -9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 77 20.454 -4.479 -10.896 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.386 -5.322 -9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 77 19.560 -3.760 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 77 21.824 -2.459 -11.167 1.00 0.00 H new ATOM 0 HD22 LEU A 77 20.989 -1.648 -9.821 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.761 -1.813 -9.799 1.00 0.00 H new ATOM 1252 N GLY A 78 24.146 -5.236 -6.706 1.00 0.00 N ATOM 1253 CA GLY A 78 25.391 -5.923 -6.982 1.00 0.00 C ATOM 1254 C GLY A 78 26.428 -5.013 -7.607 1.00 0.00 C ATOM 1255 O GLY A 78 27.479 -5.471 -8.057 1.00 0.00 O ATOM 0 H GLY A 78 24.189 -4.568 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 78 25.787 -6.337 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 78 25.199 -6.763 -7.650 1.00 0.00 H new ATOM 1259 N ARG A 79 26.140 -3.720 -7.633 1.00 0.00 N ATOM 1260 CA ARG A 79 27.048 -2.749 -8.220 1.00 0.00 C ATOM 1261 C ARG A 79 27.196 -1.562 -7.273 1.00 0.00 C ATOM 1262 O ARG A 79 26.351 -0.670 -7.246 1.00 0.00 O ATOM 1263 CB ARG A 79 26.518 -2.297 -9.587 1.00 0.00 C ATOM 1264 CG ARG A 79 27.588 -1.822 -10.565 1.00 0.00 C ATOM 1265 CD ARG A 79 28.301 -0.573 -10.079 1.00 0.00 C ATOM 1266 NE ARG A 79 29.149 0.013 -11.113 1.00 0.00 N ATOM 1267 CZ ARG A 79 29.915 1.082 -10.918 1.00 0.00 C ATOM 1268 NH1 ARG A 79 30.033 1.598 -9.705 1.00 0.00 N ATOM 1269 NH2 ARG A 79 30.589 1.616 -11.930 1.00 0.00 N ATOM 0 H ARG A 79 25.282 -3.319 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 79 28.028 -3.203 -8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 79 25.973 -3.125 -10.041 1.00 0.00 H new ATOM 0 HB3 ARG A 79 25.802 -1.490 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 79 28.317 -2.618 -10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 79 27.129 -1.622 -11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 79 27.564 0.162 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 79 28.909 -0.819 -9.208 1.00 0.00 H new ATOM 0 HE ARG A 79 29.154 -0.422 -12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.536 1.176 -8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 79 30.621 2.418 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 79 30.520 1.206 -12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 79 31.175 2.436 -11.776 1.00 0.00 H new ATOM 1283 N ASN A 80 28.263 -1.569 -6.489 1.00 0.00 N ATOM 1284 CA ASN A 80 28.489 -0.532 -5.488 1.00 0.00 C ATOM 1285 C ASN A 80 28.788 0.806 -6.156 1.00 0.00 C ATOM 1286 O ASN A 80 29.608 0.883 -7.071 1.00 0.00 O ATOM 1287 CB ASN A 80 29.644 -0.922 -4.561 1.00 0.00 C ATOM 1288 CG ASN A 80 29.451 -2.289 -3.928 1.00 0.00 C ATOM 1289 OD1 ASN A 80 29.921 -3.300 -4.451 1.00 0.00 O ATOM 1290 ND2 ASN A 80 28.747 -2.335 -2.807 1.00 0.00 N ATOM 0 H ASN A 80 28.990 -2.283 -6.525 1.00 0.00 H new ATOM 0 HA ASN A 80 27.580 -0.431 -4.895 1.00 0.00 H new ATOM 0 HB2 ASN A 80 30.576 -0.916 -5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 80 29.743 -0.173 -3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 80 28.578 -3.230 -2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 80 28.374 -1.476 -2.404 1.00 0.00 H new ATOM 1297 N PRO A 81 28.116 1.879 -5.717 1.00 0.00 N ATOM 1298 CA PRO A 81 28.295 3.208 -6.279 1.00 0.00 C ATOM 1299 C PRO A 81 29.409 3.988 -5.584 1.00 0.00 C ATOM 1300 O PRO A 81 29.165 5.002 -4.931 1.00 0.00 O ATOM 1301 CB PRO A 81 26.933 3.861 -6.044 1.00 0.00 C ATOM 1302 CG PRO A 81 26.342 3.160 -4.856 1.00 0.00 C ATOM 1303 CD PRO A 81 27.121 1.883 -4.636 1.00 0.00 C ATOM 0 HA PRO A 81 28.595 3.183 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.039 4.929 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 81 26.292 3.755 -6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 81 26.394 3.796 -3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 81 25.288 2.940 -5.028 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.597 1.871 -3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.474 1.007 -4.687 1.00 0.00 H new ATOM 1311 N SER A 82 30.633 3.504 -5.726 1.00 0.00 N ATOM 1312 CA SER A 82 31.782 4.156 -5.120 1.00 0.00 C ATOM 1313 C SER A 82 32.325 5.248 -6.042 1.00 0.00 C ATOM 1314 O SER A 82 32.845 6.264 -5.579 1.00 0.00 O ATOM 1315 CB SER A 82 32.870 3.121 -4.816 1.00 0.00 C ATOM 1316 OG SER A 82 33.910 3.670 -4.021 1.00 0.00 O ATOM 0 H SER A 82 30.856 2.661 -6.256 1.00 0.00 H new ATOM 0 HA SER A 82 31.469 4.622 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 82 32.428 2.269 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 82 33.286 2.745 -5.751 1.00 0.00 H new ATOM 0 HG SER A 82 34.585 2.982 -3.845 1.00 0.00 H new ATOM 1322 N ASP A 83 32.190 5.030 -7.345 1.00 0.00 N ATOM 1323 CA ASP A 83 32.685 5.970 -8.346 1.00 0.00 C ATOM 1324 C ASP A 83 31.617 6.997 -8.704 1.00 0.00 C ATOM 1325 O ASP A 83 31.929 8.104 -9.149 1.00 0.00 O ATOM 1326 CB ASP A 83 33.148 5.224 -9.602 1.00 0.00 C ATOM 1327 CG ASP A 83 32.054 4.390 -10.242 1.00 0.00 C ATOM 1328 OD1 ASP A 83 31.198 3.863 -9.506 1.00 0.00 O ATOM 1329 OD2 ASP A 83 32.068 4.227 -11.483 1.00 0.00 O ATOM 0 H ASP A 83 31.738 4.203 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 83 33.538 6.498 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 83 33.517 5.946 -10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 83 33.985 4.576 -9.343 1.00 0.00 H new ATOM 1334 N PHE A 84 30.357 6.630 -8.515 1.00 0.00 N ATOM 1335 CA PHE A 84 29.262 7.571 -8.686 1.00 0.00 C ATOM 1336 C PHE A 84 29.120 8.391 -7.414 1.00 0.00 C ATOM 1337 O PHE A 84 28.682 7.886 -6.385 1.00 0.00 O ATOM 1338 CB PHE A 84 27.951 6.849 -9.004 1.00 0.00 C ATOM 1339 CG PHE A 84 27.985 6.066 -10.285 1.00 0.00 C ATOM 1340 CD1 PHE A 84 28.060 6.713 -11.510 1.00 0.00 C ATOM 1341 CD2 PHE A 84 27.943 4.683 -10.265 1.00 0.00 C ATOM 1342 CE1 PHE A 84 28.090 5.992 -12.689 1.00 0.00 C ATOM 1343 CE2 PHE A 84 27.972 3.957 -11.440 1.00 0.00 C ATOM 1344 CZ PHE A 84 28.047 4.612 -12.653 1.00 0.00 C ATOM 0 H PHE A 84 30.070 5.690 -8.244 1.00 0.00 H new ATOM 0 HA PHE A 84 29.484 8.225 -9.529 1.00 0.00 H new ATOM 0 HB2 PHE A 84 27.711 6.174 -8.183 1.00 0.00 H new ATOM 0 HB3 PHE A 84 27.147 7.583 -9.059 1.00 0.00 H new ATOM 0 HD1 PHE A 84 28.095 7.792 -11.543 1.00 0.00 H new ATOM 0 HD2 PHE A 84 27.887 4.165 -9.319 1.00 0.00 H new ATOM 0 HE1 PHE A 84 28.147 6.507 -13.637 1.00 0.00 H new ATOM 0 HE2 PHE A 84 27.936 2.878 -11.410 1.00 0.00 H new ATOM 0 HZ PHE A 84 28.072 4.046 -13.572 1.00 0.00 H new ATOM 1354 N LYS A 85 29.493 9.654 -7.490 1.00 0.00 N ATOM 1355 CA LYS A 85 29.641 10.464 -6.297 1.00 0.00 C ATOM 1356 C LYS A 85 28.363 11.221 -5.975 1.00 0.00 C ATOM 1357 O LYS A 85 27.754 11.008 -4.922 1.00 0.00 O ATOM 1358 CB LYS A 85 30.806 11.437 -6.470 1.00 0.00 C ATOM 1359 CG LYS A 85 31.219 12.133 -5.187 1.00 0.00 C ATOM 1360 CD LYS A 85 32.438 13.010 -5.409 1.00 0.00 C ATOM 1361 CE LYS A 85 32.958 13.587 -4.104 1.00 0.00 C ATOM 1362 NZ LYS A 85 34.176 14.410 -4.314 1.00 0.00 N ATOM 0 H LYS A 85 29.699 10.140 -8.363 1.00 0.00 H new ATOM 0 HA LYS A 85 29.849 9.798 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 85 31.663 10.895 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 85 30.531 12.190 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 85 30.393 12.740 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 85 31.437 11.390 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 85 33.224 12.426 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 85 32.183 13.822 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 85 32.182 14.197 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 85 33.182 12.776 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 34.502 14.787 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 34.924 13.822 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 33.956 15.199 -4.955 1.00 0.00 H new ATOM 1376 N ASN A 86 27.950 12.092 -6.885 1.00 0.00 N ATOM 1377 CA ASN A 86 26.804 12.955 -6.645 1.00 0.00 C ATOM 1378 C ASN A 86 25.504 12.166 -6.704 1.00 0.00 C ATOM 1379 O ASN A 86 25.465 11.046 -7.221 1.00 0.00 O ATOM 1380 CB ASN A 86 26.774 14.112 -7.647 1.00 0.00 C ATOM 1381 CG ASN A 86 27.937 15.069 -7.456 1.00 0.00 C ATOM 1382 OD1 ASN A 86 27.863 16.005 -6.658 1.00 0.00 O ATOM 1383 ND2 ASN A 86 29.013 14.850 -8.193 1.00 0.00 N ATOM 0 H ASN A 86 28.392 12.219 -7.796 1.00 0.00 H new ATOM 0 HA ASN A 86 26.904 13.371 -5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 86 26.798 13.713 -8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 86 25.836 14.657 -7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 86 29.821 15.467 -8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 86 29.035 14.064 -8.842 1.00 0.00 H new ATOM 1390 N ALA A 87 24.440 12.760 -6.179 1.00 0.00 N ATOM 1391 CA ALA A 87 23.162 12.075 -6.056 1.00 0.00 C ATOM 1392 C ALA A 87 22.588 11.715 -7.419 1.00 0.00 C ATOM 1393 O ALA A 87 22.150 10.585 -7.633 1.00 0.00 O ATOM 1394 CB ALA A 87 22.174 12.934 -5.279 1.00 0.00 C ATOM 0 H ALA A 87 24.438 13.719 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 87 23.334 11.147 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.223 12.409 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.569 13.131 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 87 22.022 13.878 -5.803 1.00 0.00 H new ATOM 1400 N ASP A 88 22.621 12.667 -8.345 1.00 0.00 N ATOM 1401 CA ASP A 88 22.012 12.478 -9.661 1.00 0.00 C ATOM 1402 C ASP A 88 22.740 11.396 -10.452 1.00 0.00 C ATOM 1403 O ASP A 88 22.127 10.670 -11.227 1.00 0.00 O ATOM 1404 CB ASP A 88 21.998 13.790 -10.447 1.00 0.00 C ATOM 1405 CG ASP A 88 21.033 13.750 -11.617 1.00 0.00 C ATOM 1406 OD1 ASP A 88 19.834 14.048 -11.414 1.00 0.00 O ATOM 1407 OD2 ASP A 88 21.465 13.442 -12.746 1.00 0.00 O ATOM 0 H ASP A 88 23.062 13.577 -8.211 1.00 0.00 H new ATOM 0 HA ASP A 88 20.982 12.155 -9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 88 21.723 14.607 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 88 23.002 14.002 -10.814 1.00 0.00 H new ATOM 1412 N GLU A 89 24.048 11.279 -10.233 1.00 0.00 N ATOM 1413 CA GLU A 89 24.841 10.221 -10.857 1.00 0.00 C ATOM 1414 C GLU A 89 24.315 8.853 -10.433 1.00 0.00 C ATOM 1415 O GLU A 89 24.157 7.942 -11.248 1.00 0.00 O ATOM 1416 CB GLU A 89 26.307 10.348 -10.443 1.00 0.00 C ATOM 1417 CG GLU A 89 26.965 11.643 -10.883 1.00 0.00 C ATOM 1418 CD GLU A 89 28.335 11.832 -10.264 1.00 0.00 C ATOM 1419 OE1 GLU A 89 29.011 10.824 -9.976 1.00 0.00 O ATOM 1420 OE2 GLU A 89 28.736 12.993 -10.044 1.00 0.00 O ATOM 0 H GLU A 89 24.582 11.904 -9.628 1.00 0.00 H new ATOM 0 HA GLU A 89 24.761 10.321 -11.939 1.00 0.00 H new ATOM 0 HB2 GLU A 89 26.375 10.269 -9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 89 26.865 9.510 -10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 89 27.055 11.651 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 89 26.327 12.483 -10.610 1.00 0.00 H new ATOM 1427 N ARG A 90 24.032 8.734 -9.144 1.00 0.00 N ATOM 1428 CA ARG A 90 23.501 7.504 -8.582 1.00 0.00 C ATOM 1429 C ARG A 90 22.083 7.265 -9.083 1.00 0.00 C ATOM 1430 O ARG A 90 21.675 6.127 -9.301 1.00 0.00 O ATOM 1431 CB ARG A 90 23.525 7.581 -7.058 1.00 0.00 C ATOM 1432 CG ARG A 90 24.905 7.884 -6.503 1.00 0.00 C ATOM 1433 CD ARG A 90 24.884 8.057 -4.995 1.00 0.00 C ATOM 1434 NE ARG A 90 26.219 8.328 -4.476 1.00 0.00 N ATOM 1435 CZ ARG A 90 26.948 7.440 -3.801 1.00 0.00 C ATOM 1436 NH1 ARG A 90 26.446 6.250 -3.505 1.00 0.00 N ATOM 1437 NH2 ARG A 90 28.179 7.741 -3.425 1.00 0.00 N ATOM 0 H ARG A 90 24.163 9.482 -8.464 1.00 0.00 H new ATOM 0 HA ARG A 90 24.123 6.668 -8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 90 22.829 8.352 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 90 23.173 6.635 -6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 90 25.587 7.076 -6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 90 25.292 8.791 -6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 90 24.215 8.876 -4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 90 24.486 7.156 -4.529 1.00 0.00 H new ATOM 0 HE ARG A 90 26.619 9.252 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 90 25.498 6.010 -3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 90 27.008 5.574 -2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 90 28.572 8.654 -3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 90 28.735 7.060 -2.908 1.00 0.00 H new ATOM 1451 N ILE A 91 21.340 8.351 -9.266 1.00 0.00 N ATOM 1452 CA ILE A 91 19.990 8.276 -9.807 1.00 0.00 C ATOM 1453 C ILE A 91 20.030 7.789 -11.250 1.00 0.00 C ATOM 1454 O ILE A 91 19.217 6.967 -11.657 1.00 0.00 O ATOM 1455 CB ILE A 91 19.280 9.648 -9.758 1.00 0.00 C ATOM 1456 CG1 ILE A 91 19.191 10.151 -8.318 1.00 0.00 C ATOM 1457 CG2 ILE A 91 17.887 9.556 -10.370 1.00 0.00 C ATOM 1458 CD1 ILE A 91 18.679 11.569 -8.205 1.00 0.00 C ATOM 0 H ILE A 91 21.652 9.297 -9.046 1.00 0.00 H new ATOM 0 HA ILE A 91 19.430 7.573 -9.190 1.00 0.00 H new ATOM 0 HB ILE A 91 19.867 10.357 -10.341 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.536 9.490 -7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.178 10.092 -7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.405 10.532 -10.325 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.967 9.238 -11.409 1.00 0.00 H new ATOM 0 HG23 ILE A 91 17.292 8.832 -9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 91 18.642 11.860 -7.155 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.347 12.241 -8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 91 17.679 11.630 -8.634 1.00 0.00 H new ATOM 1470 N ALA A 92 20.997 8.299 -12.002 1.00 0.00 N ATOM 1471 CA ALA A 92 21.151 7.961 -13.409 1.00 0.00 C ATOM 1472 C ALA A 92 21.333 6.461 -13.612 1.00 0.00 C ATOM 1473 O ALA A 92 20.675 5.859 -14.464 1.00 0.00 O ATOM 1474 CB ALA A 92 22.324 8.723 -14.002 1.00 0.00 C ATOM 0 H ALA A 92 21.694 8.957 -11.654 1.00 0.00 H new ATOM 0 HA ALA A 92 20.236 8.252 -13.925 1.00 0.00 H new ATOM 0 HB1 ALA A 92 22.431 8.464 -15.055 1.00 0.00 H new ATOM 0 HB2 ALA A 92 22.147 9.794 -13.908 1.00 0.00 H new ATOM 0 HB3 ALA A 92 23.237 8.459 -13.468 1.00 0.00 H new ATOM 1480 N TYR A 93 22.218 5.857 -12.822 1.00 0.00 N ATOM 1481 CA TYR A 93 22.470 4.422 -12.933 1.00 0.00 C ATOM 1482 C TYR A 93 21.212 3.627 -12.591 1.00 0.00 C ATOM 1483 O TYR A 93 20.853 2.682 -13.299 1.00 0.00 O ATOM 1484 CB TYR A 93 23.624 3.990 -12.023 1.00 0.00 C ATOM 1485 CG TYR A 93 24.018 2.538 -12.211 1.00 0.00 C ATOM 1486 CD1 TYR A 93 24.718 2.132 -13.341 1.00 0.00 C ATOM 1487 CD2 TYR A 93 23.680 1.575 -11.269 1.00 0.00 C ATOM 1488 CE1 TYR A 93 25.067 0.809 -13.528 1.00 0.00 C ATOM 1489 CE2 TYR A 93 24.023 0.249 -11.453 1.00 0.00 C ATOM 1490 CZ TYR A 93 24.720 -0.129 -12.581 1.00 0.00 C ATOM 1491 OH TYR A 93 25.058 -1.451 -12.767 1.00 0.00 O ATOM 0 H TYR A 93 22.767 6.332 -12.106 1.00 0.00 H new ATOM 0 HA TYR A 93 22.751 4.215 -13.966 1.00 0.00 H new ATOM 0 HB2 TYR A 93 24.489 4.623 -12.218 1.00 0.00 H new ATOM 0 HB3 TYR A 93 23.339 4.151 -10.983 1.00 0.00 H new ATOM 0 HD1 TYR A 93 24.994 2.864 -14.086 1.00 0.00 H new ATOM 0 HD2 TYR A 93 23.141 1.867 -10.380 1.00 0.00 H new ATOM 0 HE1 TYR A 93 25.610 0.511 -14.413 1.00 0.00 H new ATOM 0 HE2 TYR A 93 23.746 -0.489 -10.715 1.00 0.00 H new ATOM 0 HH TYR A 93 24.740 -1.980 -12.006 1.00 0.00 H new ATOM 1501 N ILE A 94 20.540 4.020 -11.513 1.00 0.00 N ATOM 1502 CA ILE A 94 19.306 3.364 -11.100 1.00 0.00 C ATOM 1503 C ILE A 94 18.242 3.500 -12.195 1.00 0.00 C ATOM 1504 O ILE A 94 17.595 2.523 -12.572 1.00 0.00 O ATOM 1505 CB ILE A 94 18.764 3.952 -9.768 1.00 0.00 C ATOM 1506 CG1 ILE A 94 19.786 3.758 -8.638 1.00 0.00 C ATOM 1507 CG2 ILE A 94 17.437 3.305 -9.400 1.00 0.00 C ATOM 1508 CD1 ILE A 94 19.380 4.383 -7.313 1.00 0.00 C ATOM 0 H ILE A 94 20.830 4.790 -10.910 1.00 0.00 H new ATOM 0 HA ILE A 94 19.531 2.310 -10.939 1.00 0.00 H new ATOM 0 HB ILE A 94 18.601 5.021 -9.906 1.00 0.00 H new ATOM 0 HG12 ILE A 94 19.947 2.690 -8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 94 20.740 4.183 -8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 94 17.073 3.729 -8.464 1.00 0.00 H new ATOM 0 HG22 ILE A 94 16.710 3.491 -10.190 1.00 0.00 H new ATOM 0 HG23 ILE A 94 17.577 2.231 -9.281 1.00 0.00 H new ATOM 0 HD11 ILE A 94 20.157 4.199 -6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 94 19.249 5.457 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 94 18.443 3.941 -6.974 1.00 0.00 H new ATOM 1520 N LEU A 95 18.113 4.710 -12.728 1.00 0.00 N ATOM 1521 CA LEU A 95 17.108 5.024 -13.740 1.00 0.00 C ATOM 1522 C LEU A 95 17.288 4.170 -14.994 1.00 0.00 C ATOM 1523 O LEU A 95 16.330 3.588 -15.502 1.00 0.00 O ATOM 1524 CB LEU A 95 17.197 6.504 -14.119 1.00 0.00 C ATOM 1525 CG LEU A 95 15.889 7.291 -14.026 1.00 0.00 C ATOM 1526 CD1 LEU A 95 16.115 8.727 -14.464 1.00 0.00 C ATOM 1527 CD2 LEU A 95 14.801 6.643 -14.869 1.00 0.00 C ATOM 0 H LEU A 95 18.702 5.502 -12.471 1.00 0.00 H new ATOM 0 HA LEU A 95 16.129 4.805 -13.314 1.00 0.00 H new ATOM 0 HB2 LEU A 95 17.934 6.982 -13.474 1.00 0.00 H new ATOM 0 HB3 LEU A 95 17.572 6.577 -15.140 1.00 0.00 H new ATOM 0 HG LEU A 95 15.557 7.285 -12.988 1.00 0.00 H new ATOM 0 HD11 LEU A 95 15.178 9.280 -14.395 1.00 0.00 H new ATOM 0 HD12 LEU A 95 16.860 9.192 -13.818 1.00 0.00 H new ATOM 0 HD13 LEU A 95 16.469 8.742 -15.495 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.882 7.223 -14.785 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.117 6.614 -15.912 1.00 0.00 H new ATOM 0 HD23 LEU A 95 14.623 5.627 -14.515 1.00 0.00 H new ATOM 1539 N LYS A 96 18.520 4.093 -15.486 1.00 0.00 N ATOM 1540 CA LYS A 96 18.808 3.341 -16.706 1.00 0.00 C ATOM 1541 C LYS A 96 18.601 1.845 -16.494 1.00 0.00 C ATOM 1542 O LYS A 96 18.417 1.093 -17.449 1.00 0.00 O ATOM 1543 CB LYS A 96 20.234 3.619 -17.191 1.00 0.00 C ATOM 1544 CG LYS A 96 20.451 5.049 -17.654 1.00 0.00 C ATOM 1545 CD LYS A 96 21.840 5.232 -18.247 1.00 0.00 C ATOM 1546 CE LYS A 96 22.038 6.632 -18.806 1.00 0.00 C ATOM 1547 NZ LYS A 96 21.990 7.676 -17.748 1.00 0.00 N ATOM 0 H LYS A 96 19.333 4.539 -15.062 1.00 0.00 H new ATOM 0 HA LYS A 96 18.109 3.674 -17.473 1.00 0.00 H new ATOM 0 HB2 LYS A 96 20.933 3.397 -16.384 1.00 0.00 H new ATOM 0 HB3 LYS A 96 20.468 2.941 -18.011 1.00 0.00 H new ATOM 0 HG2 LYS A 96 19.698 5.311 -18.397 1.00 0.00 H new ATOM 0 HG3 LYS A 96 20.319 5.730 -16.813 1.00 0.00 H new ATOM 0 HD2 LYS A 96 22.590 5.038 -17.481 1.00 0.00 H new ATOM 0 HD3 LYS A 96 21.996 4.499 -19.039 1.00 0.00 H new ATOM 0 HE2 LYS A 96 22.998 6.683 -19.320 1.00 0.00 H new ATOM 0 HE3 LYS A 96 21.267 6.836 -19.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 22.214 8.603 -18.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 21.038 7.704 -17.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 22.685 7.452 -17.008 1.00 0.00 H new ATOM 1561 N GLN A 97 18.632 1.419 -15.243 1.00 0.00 N ATOM 1562 CA GLN A 97 18.357 0.033 -14.908 1.00 0.00 C ATOM 1563 C GLN A 97 16.845 -0.197 -14.890 1.00 0.00 C ATOM 1564 O GLN A 97 16.354 -1.215 -15.377 1.00 0.00 O ATOM 1565 CB GLN A 97 19.003 -0.305 -13.555 1.00 0.00 C ATOM 1566 CG GLN A 97 18.852 -1.755 -13.114 1.00 0.00 C ATOM 1567 CD GLN A 97 17.519 -2.041 -12.449 1.00 0.00 C ATOM 1568 OE1 GLN A 97 17.008 -3.156 -12.505 1.00 0.00 O ATOM 1569 NE2 GLN A 97 16.945 -1.031 -11.817 1.00 0.00 N ATOM 0 H GLN A 97 18.845 2.014 -14.442 1.00 0.00 H new ATOM 0 HA GLN A 97 18.787 -0.630 -15.659 1.00 0.00 H new ATOM 0 HB2 GLN A 97 20.065 -0.065 -13.607 1.00 0.00 H new ATOM 0 HB3 GLN A 97 18.568 0.339 -12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.965 -2.406 -13.981 1.00 0.00 H new ATOM 0 HG3 GLN A 97 19.657 -2.003 -12.422 1.00 0.00 H new ATOM 0 HE21 GLN A 97 17.401 -0.119 -11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.046 -1.164 -11.354 1.00 0.00 H new ATOM 1578 N ILE A 98 16.114 0.774 -14.348 1.00 0.00 N ATOM 1579 CA ILE A 98 14.655 0.710 -14.304 1.00 0.00 C ATOM 1580 C ILE A 98 14.078 0.715 -15.717 1.00 0.00 C ATOM 1581 O ILE A 98 13.074 0.055 -15.994 1.00 0.00 O ATOM 1582 CB ILE A 98 14.067 1.901 -13.512 1.00 0.00 C ATOM 1583 CG1 ILE A 98 14.602 1.908 -12.081 1.00 0.00 C ATOM 1584 CG2 ILE A 98 12.543 1.852 -13.510 1.00 0.00 C ATOM 1585 CD1 ILE A 98 14.206 3.137 -11.292 1.00 0.00 C ATOM 0 H ILE A 98 16.509 1.617 -13.932 1.00 0.00 H new ATOM 0 HA ILE A 98 14.382 -0.217 -13.800 1.00 0.00 H new ATOM 0 HB ILE A 98 14.378 2.823 -14.004 1.00 0.00 H new ATOM 0 HG12 ILE A 98 14.239 1.021 -11.562 1.00 0.00 H new ATOM 0 HG13 ILE A 98 15.689 1.839 -12.108 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.152 2.700 -12.947 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.176 1.898 -14.535 1.00 0.00 H new ATOM 0 HG23 ILE A 98 12.209 0.924 -13.046 1.00 0.00 H new ATOM 0 HD11 ILE A 98 14.621 3.073 -10.286 1.00 0.00 H new ATOM 0 HD12 ILE A 98 14.592 4.028 -11.788 1.00 0.00 H new ATOM 0 HD13 ILE A 98 13.119 3.197 -11.233 1.00 0.00 H new ATOM 1597 N ASP A 99 14.735 1.456 -16.604 1.00 0.00 N ATOM 1598 CA ASP A 99 14.310 1.572 -17.999 1.00 0.00 C ATOM 1599 C ASP A 99 14.304 0.211 -18.689 1.00 0.00 C ATOM 1600 O ASP A 99 13.463 -0.060 -19.549 1.00 0.00 O ATOM 1601 CB ASP A 99 15.234 2.534 -18.749 1.00 0.00 C ATOM 1602 CG ASP A 99 14.771 2.811 -20.167 1.00 0.00 C ATOM 1603 OD1 ASP A 99 13.987 3.765 -20.361 1.00 0.00 O ATOM 1604 OD2 ASP A 99 15.199 2.092 -21.094 1.00 0.00 O ATOM 0 H ASP A 99 15.574 1.992 -16.380 1.00 0.00 H new ATOM 0 HA ASP A 99 13.293 1.963 -18.012 1.00 0.00 H new ATOM 0 HB2 ASP A 99 15.293 3.474 -18.201 1.00 0.00 H new ATOM 0 HB3 ASP A 99 16.241 2.117 -18.776 1.00 0.00 H new ATOM 1609 N ASN A 100 15.237 -0.649 -18.297 1.00 0.00 N ATOM 1610 CA ASN A 100 15.330 -1.992 -18.863 1.00 0.00 C ATOM 1611 C ASN A 100 14.087 -2.801 -18.513 1.00 0.00 C ATOM 1612 O ASN A 100 13.605 -3.602 -19.313 1.00 0.00 O ATOM 1613 CB ASN A 100 16.592 -2.699 -18.356 1.00 0.00 C ATOM 1614 CG ASN A 100 16.747 -4.102 -18.915 1.00 0.00 C ATOM 1615 OD1 ASN A 100 16.346 -5.084 -18.287 1.00 0.00 O ATOM 1616 ND2 ASN A 100 17.323 -4.206 -20.104 1.00 0.00 N ATOM 0 H ASN A 100 15.941 -0.441 -17.589 1.00 0.00 H new ATOM 0 HA ASN A 100 15.394 -1.909 -19.948 1.00 0.00 H new ATOM 0 HB2 ASN A 100 17.467 -2.107 -18.625 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.563 -2.748 -17.267 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.448 -5.124 -20.532 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.641 -3.368 -20.592 1.00 0.00 H new ATOM 1623 N LYS A 101 13.554 -2.547 -17.326 1.00 0.00 N ATOM 1624 CA LYS A 101 12.351 -3.219 -16.851 1.00 0.00 C ATOM 1625 C LYS A 101 11.107 -2.412 -17.227 1.00 0.00 C ATOM 1626 O LYS A 101 10.035 -2.590 -16.643 1.00 0.00 O ATOM 1627 CB LYS A 101 12.422 -3.393 -15.332 1.00 0.00 C ATOM 1628 CG LYS A 101 13.542 -4.311 -14.867 1.00 0.00 C ATOM 1629 CD LYS A 101 13.742 -4.233 -13.359 1.00 0.00 C ATOM 1630 CE LYS A 101 14.776 -5.242 -12.877 1.00 0.00 C ATOM 1631 NZ LYS A 101 15.126 -5.034 -11.445 1.00 0.00 N ATOM 0 H LYS A 101 13.941 -1.872 -16.667 1.00 0.00 H new ATOM 0 HA LYS A 101 12.285 -4.200 -17.323 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.553 -2.414 -14.870 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.470 -3.789 -14.977 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.313 -5.338 -15.151 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.469 -4.039 -15.372 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.060 -3.227 -13.085 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.793 -4.416 -12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.389 -6.252 -13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.676 -5.160 -13.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.533 -5.909 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.821 -4.264 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.269 -4.784 -10.911 1.00 0.00 H new ATOM 1645 N GLY A 102 11.261 -1.521 -18.199 1.00 0.00 N ATOM 1646 CA GLY A 102 10.162 -0.675 -18.625 1.00 0.00 C ATOM 1647 C GLY A 102 9.093 -1.439 -19.381 1.00 0.00 C ATOM 1648 O GLY A 102 7.903 -1.275 -19.117 1.00 0.00 O ATOM 0 H GLY A 102 12.134 -1.369 -18.703 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.714 -0.201 -17.752 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.548 0.124 -19.258 1.00 0.00 H new ATOM 1652 N GLU A 103 9.513 -2.278 -20.317 1.00 0.00 N ATOM 1653 CA GLU A 103 8.575 -3.064 -21.106 1.00 0.00 C ATOM 1654 C GLU A 103 8.734 -4.547 -20.795 1.00 0.00 C ATOM 1655 O GLU A 103 9.853 -5.029 -20.614 1.00 0.00 O ATOM 1656 CB GLU A 103 8.776 -2.809 -22.600 1.00 0.00 C ATOM 1657 CG GLU A 103 10.168 -3.150 -23.101 1.00 0.00 C ATOM 1658 CD GLU A 103 10.296 -2.987 -24.598 1.00 0.00 C ATOM 1659 OE1 GLU A 103 9.967 -3.939 -25.334 1.00 0.00 O ATOM 1660 OE2 GLU A 103 10.734 -1.910 -25.050 1.00 0.00 O ATOM 0 H GLU A 103 10.494 -2.432 -20.548 1.00 0.00 H new ATOM 0 HA GLU A 103 7.563 -2.757 -20.840 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.046 -3.394 -23.160 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.572 -1.759 -22.810 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.897 -2.510 -22.605 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.408 -4.178 -22.828 1.00 0.00 H new ATOM 1667 N LEU A 104 7.608 -5.255 -20.745 1.00 0.00 N ATOM 1668 CA LEU A 104 7.591 -6.669 -20.381 1.00 0.00 C ATOM 1669 C LEU A 104 8.305 -6.886 -19.052 1.00 0.00 C ATOM 1670 O LEU A 104 9.329 -7.573 -18.978 1.00 0.00 O ATOM 1671 CB LEU A 104 8.220 -7.533 -21.481 1.00 0.00 C ATOM 1672 CG LEU A 104 7.431 -7.597 -22.792 1.00 0.00 C ATOM 1673 CD1 LEU A 104 8.191 -8.403 -23.834 1.00 0.00 C ATOM 1674 CD2 LEU A 104 6.056 -8.202 -22.553 1.00 0.00 C ATOM 0 H LEU A 104 6.688 -4.868 -20.954 1.00 0.00 H new ATOM 0 HA LEU A 104 6.551 -6.976 -20.271 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.218 -7.151 -21.695 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.342 -8.547 -21.099 1.00 0.00 H new ATOM 0 HG LEU A 104 7.304 -6.582 -23.168 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.615 -8.437 -24.759 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.156 -7.933 -24.025 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.348 -9.417 -23.466 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.507 -8.241 -23.494 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.167 -9.211 -22.155 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.508 -7.588 -21.838 1.00 0.00 H new ATOM 1686 N GLU A 105 7.740 -6.308 -18.000 1.00 0.00 N ATOM 1687 CA GLU A 105 8.335 -6.357 -16.669 1.00 0.00 C ATOM 1688 C GLU A 105 8.038 -7.686 -15.980 1.00 0.00 C ATOM 1689 O GLU A 105 8.005 -7.753 -14.756 1.00 0.00 O ATOM 1690 CB GLU A 105 7.829 -5.193 -15.801 1.00 0.00 C ATOM 1691 CG GLU A 105 6.311 -5.103 -15.679 1.00 0.00 C ATOM 1692 CD GLU A 105 5.669 -4.413 -16.864 1.00 0.00 C ATOM 1693 OE1 GLU A 105 5.372 -5.089 -17.867 1.00 0.00 O ATOM 1694 OE2 GLU A 105 5.474 -3.182 -16.802 1.00 0.00 O ATOM 0 H GLU A 105 6.860 -5.794 -18.044 1.00 0.00 H new ATOM 0 HA GLU A 105 9.414 -6.264 -16.789 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.255 -5.290 -14.802 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.203 -4.258 -16.218 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.898 -6.107 -15.581 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.055 -4.563 -14.767 1.00 0.00 H new ATOM 1701 N HIS A 106 7.863 -8.736 -16.791 1.00 0.00 N ATOM 1702 CA HIS A 106 7.591 -10.102 -16.324 1.00 0.00 C ATOM 1703 C HIS A 106 6.591 -10.151 -15.167 1.00 0.00 C ATOM 1704 O HIS A 106 6.963 -10.135 -13.995 1.00 0.00 O ATOM 1705 CB HIS A 106 8.885 -10.864 -15.961 1.00 0.00 C ATOM 1706 CG HIS A 106 9.845 -10.129 -15.068 1.00 0.00 C ATOM 1707 ND1 HIS A 106 9.654 -9.965 -13.712 1.00 0.00 N ATOM 1708 CD2 HIS A 106 11.023 -9.525 -15.352 1.00 0.00 C ATOM 1709 CE1 HIS A 106 10.668 -9.295 -13.204 1.00 0.00 C ATOM 1710 NE2 HIS A 106 11.511 -9.014 -14.177 1.00 0.00 N ATOM 0 H HIS A 106 7.907 -8.660 -17.807 1.00 0.00 H new ATOM 0 HA HIS A 106 7.127 -10.610 -17.170 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.610 -11.800 -15.475 1.00 0.00 H new ATOM 0 HB3 HIS A 106 9.403 -11.124 -16.884 1.00 0.00 H new ATOM 0 HD1 HIS A 106 8.852 -10.309 -13.184 1.00 0.00 H new ATOM 0 HD2 HIS A 106 11.491 -9.458 -16.323 1.00 0.00 H new ATOM 0 HE1 HIS A 106 10.788 -9.022 -12.166 1.00 0.00 H new ATOM 1719 N HIS A 107 5.312 -10.233 -15.512 1.00 0.00 N ATOM 1720 CA HIS A 107 4.258 -10.338 -14.510 1.00 0.00 C ATOM 1721 C HIS A 107 4.401 -11.644 -13.736 1.00 0.00 C ATOM 1722 O HIS A 107 3.989 -11.747 -12.579 1.00 0.00 O ATOM 1723 CB HIS A 107 2.876 -10.258 -15.165 1.00 0.00 C ATOM 1724 CG HIS A 107 2.475 -8.871 -15.577 1.00 0.00 C ATOM 1725 ND1 HIS A 107 2.255 -8.502 -16.887 1.00 0.00 N ATOM 1726 CD2 HIS A 107 2.240 -7.761 -14.835 1.00 0.00 C ATOM 1727 CE1 HIS A 107 1.905 -7.228 -16.932 1.00 0.00 C ATOM 1728 NE2 HIS A 107 1.885 -6.754 -15.700 1.00 0.00 N ATOM 0 H HIS A 107 4.980 -10.229 -16.476 1.00 0.00 H new ATOM 0 HA HIS A 107 4.356 -9.502 -13.817 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.863 -10.905 -16.042 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.133 -10.649 -14.470 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.318 -7.683 -13.761 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.674 -6.669 -17.827 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.646 -5.799 -15.434 1.00 0.00 H new ATOM 1737 N HIS A 108 5.000 -12.634 -14.386 1.00 0.00 N ATOM 1738 CA HIS A 108 5.307 -13.897 -13.738 1.00 0.00 C ATOM 1739 C HIS A 108 6.815 -14.146 -13.781 1.00 0.00 C ATOM 1740 O HIS A 108 7.380 -14.467 -14.827 1.00 0.00 O ATOM 1741 CB HIS A 108 4.519 -15.063 -14.371 1.00 0.00 C ATOM 1742 CG HIS A 108 4.803 -15.322 -15.826 1.00 0.00 C ATOM 1743 ND1 HIS A 108 5.442 -16.459 -16.272 1.00 0.00 N ATOM 1744 CD2 HIS A 108 4.519 -14.597 -16.936 1.00 0.00 C ATOM 1745 CE1 HIS A 108 5.542 -16.423 -17.586 1.00 0.00 C ATOM 1746 NE2 HIS A 108 4.992 -15.303 -18.016 1.00 0.00 N ATOM 0 H HIS A 108 5.283 -12.583 -15.365 1.00 0.00 H new ATOM 0 HA HIS A 108 4.995 -13.839 -12.695 1.00 0.00 H new ATOM 0 HB2 HIS A 108 4.735 -15.972 -13.809 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.454 -14.863 -14.257 1.00 0.00 H new ATOM 0 HD2 HIS A 108 4.015 -13.642 -16.966 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.997 -17.182 -18.206 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.928 -15.009 -18.991 1.00 0.00 H new ATOM 1755 N HIS A 109 7.462 -13.964 -12.638 1.00 0.00 N ATOM 1756 CA HIS A 109 8.913 -14.102 -12.530 1.00 0.00 C ATOM 1757 C HIS A 109 9.300 -15.568 -12.334 1.00 0.00 C ATOM 1758 O HIS A 109 10.476 -15.892 -12.148 1.00 0.00 O ATOM 1759 CB HIS A 109 9.427 -13.238 -11.367 1.00 0.00 C ATOM 1760 CG HIS A 109 10.923 -13.185 -11.219 1.00 0.00 C ATOM 1761 ND1 HIS A 109 11.785 -12.959 -12.273 1.00 0.00 N ATOM 1762 CD2 HIS A 109 11.708 -13.328 -10.122 1.00 0.00 C ATOM 1763 CE1 HIS A 109 13.030 -12.962 -11.831 1.00 0.00 C ATOM 1764 NE2 HIS A 109 13.013 -13.183 -10.530 1.00 0.00 N ATOM 0 H HIS A 109 7.001 -13.718 -11.762 1.00 0.00 H new ATOM 0 HA HIS A 109 9.375 -13.757 -13.455 1.00 0.00 H new ATOM 0 HB2 HIS A 109 9.055 -12.222 -11.499 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.000 -13.616 -10.438 1.00 0.00 H new ATOM 0 HD2 HIS A 109 11.370 -13.520 -9.114 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.913 -12.809 -12.433 1.00 0.00 H new ATOM 0 HE2 HIS A 109 13.833 -13.237 -9.926 1.00 0.00 H new ATOM 1773 N HIS A 110 8.294 -16.440 -12.388 1.00 0.00 N ATOM 1774 CA HIS A 110 8.478 -17.884 -12.258 1.00 0.00 C ATOM 1775 C HIS A 110 8.825 -18.242 -10.819 1.00 0.00 C ATOM 1776 O HIS A 110 9.963 -18.087 -10.377 1.00 0.00 O ATOM 1777 CB HIS A 110 9.552 -18.398 -13.231 1.00 0.00 C ATOM 1778 CG HIS A 110 9.661 -19.892 -13.297 1.00 0.00 C ATOM 1779 ND1 HIS A 110 10.841 -20.544 -13.576 1.00 0.00 N ATOM 1780 CD2 HIS A 110 8.727 -20.860 -13.146 1.00 0.00 C ATOM 1781 CE1 HIS A 110 10.627 -21.844 -13.594 1.00 0.00 C ATOM 1782 NE2 HIS A 110 9.354 -22.065 -13.335 1.00 0.00 N ATOM 0 H HIS A 110 7.322 -16.162 -12.524 1.00 0.00 H new ATOM 0 HA HIS A 110 7.540 -18.374 -12.519 1.00 0.00 H new ATOM 0 HB2 HIS A 110 9.334 -18.017 -14.229 1.00 0.00 H new ATOM 0 HB3 HIS A 110 10.518 -17.988 -12.937 1.00 0.00 H new ATOM 0 HD2 HIS A 110 7.682 -20.711 -12.919 1.00 0.00 H new ATOM 0 HE1 HIS A 110 11.371 -22.602 -13.789 1.00 0.00 H new ATOM 0 HE2 HIS A 110 8.908 -22.981 -13.284 1.00 0.00 H new ATOM 1791 N HIS A 111 7.827 -18.702 -10.093 1.00 0.00 N ATOM 1792 CA HIS A 111 7.989 -19.038 -8.691 1.00 0.00 C ATOM 1793 C HIS A 111 7.884 -20.546 -8.511 1.00 0.00 C ATOM 1794 O HIS A 111 8.922 -21.193 -8.273 1.00 0.00 O ATOM 1795 CB HIS A 111 6.925 -18.319 -7.856 1.00 0.00 C ATOM 1796 CG HIS A 111 7.136 -18.411 -6.374 1.00 0.00 C ATOM 1797 ND1 HIS A 111 7.725 -17.409 -5.636 1.00 0.00 N ATOM 1798 CD2 HIS A 111 6.811 -19.382 -5.489 1.00 0.00 C ATOM 1799 CE1 HIS A 111 7.756 -17.759 -4.367 1.00 0.00 C ATOM 1800 NE2 HIS A 111 7.206 -18.951 -4.246 1.00 0.00 N ATOM 1801 OXT HIS A 111 6.764 -21.081 -8.640 1.00 0.00 O ATOM 0 H HIS A 111 6.885 -18.853 -10.454 1.00 0.00 H new ATOM 0 HA HIS A 111 8.972 -18.713 -8.351 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.904 -17.268 -8.143 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.947 -18.736 -8.098 1.00 0.00 H new ATOM 0 HD2 HIS A 111 6.330 -20.322 -5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.164 -17.168 -3.560 1.00 0.00 H new ATOM 0 HE2 HIS A 111 7.093 -19.468 -3.374 1.00 0.00 H new TER 1810 HIS A 111